REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2v68_1_B DATA FIRST_RESID 9 DATA SEQUENCE AGAGFKAGVK DYRLTYYTPD YVVRDTDILA AFRMTPQPGV PPEECGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYDIE PVPGEDNQYI AYVAYXIDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF VGXPHGIQVE DATA SEQUENCE RDKLNKYGRG LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFVAEAIYKA QAETGEVKGH YLNATAGTCE EMMKRAVXAK DATA SEQUENCE ELGVPIIMHD YLTGGFTANT SLAIYCRDNG LLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHLHS GTAVGKLEGE REVILGFVDL MRDDYVEKDR DATA SEQUENCE SRGIYFTQDW XSMPGVMPVA SGGIHVWHMP ALVEIFGDDA CLQFGGGTLG DATA SEQUENCE HPWGNAPGAA ANRVALEACT QARNEGRDLA REGGDVIRSA CKWSPELAAA DATA SEQUENCE CEVWKEIKFE FDTIDKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.588 177.584 0.006 0.000 1.274 9 A CA 0.000 52.040 52.037 0.004 0.000 0.836 9 A CB 0.000 19.002 19.000 0.003 0.000 0.831 10 G N 0.037 108.843 108.800 0.011 0.000 2.525 10 G HA2 0.702 4.662 3.960 -0.000 0.000 0.287 10 G HA3 0.702 4.662 3.960 -0.000 0.000 0.287 10 G C 0.551 175.461 174.900 0.017 0.000 1.350 10 G CA 0.050 45.157 45.100 0.013 0.000 1.039 10 G HN 2.157 nan 8.290 nan 0.000 0.513 11 A N -0.666 122.166 122.820 0.020 0.000 2.491 11 A HA 0.576 4.896 4.320 -0.000 0.000 0.261 11 A C 0.850 178.463 177.584 0.049 0.000 1.101 11 A CA 0.563 52.617 52.037 0.027 0.000 0.772 11 A CB -0.319 18.695 19.000 0.024 0.000 1.043 11 A HN 1.244 nan 8.150 nan 0.000 0.501 12 G N 0.591 109.425 108.800 0.057 0.000 3.075 12 G HA2 0.532 4.492 3.960 -0.000 0.000 0.253 12 G HA3 0.532 4.492 3.960 -0.000 0.000 0.253 12 G C -0.709 174.291 174.900 0.166 0.000 1.353 12 G CA -0.682 44.478 45.100 0.099 0.000 1.051 12 G HN 0.718 nan 8.290 nan 0.000 0.553 13 F N 1.251 121.224 119.950 0.038 0.000 2.424 13 F HA 0.566 5.093 4.527 -0.000 0.000 0.356 13 F C 0.179 175.995 175.800 0.027 0.000 1.110 13 F CA -1.093 56.941 58.000 0.055 0.000 1.161 13 F CB 1.029 40.092 39.000 0.104 0.000 1.115 13 F HN 0.072 nan 8.300 nan 0.000 0.507 14 K N 6.113 126.292 120.400 -0.368 0.000 2.483 14 K HA 0.574 4.894 4.320 -0.000 0.000 0.256 14 K C -0.811 175.385 176.600 -0.672 0.000 0.961 14 K CA -0.591 55.374 56.287 -0.538 0.000 0.873 14 K CB 1.376 33.746 32.500 -0.216 0.000 1.107 14 K HN 0.821 nan 8.250 nan 0.000 0.432 15 A N 2.334 124.588 122.820 -0.944 0.000 2.498 15 A HA 0.565 4.885 4.320 -0.000 0.000 0.239 15 A C 0.505 177.967 177.584 -0.203 0.000 1.068 15 A CA 0.996 52.749 52.037 -0.472 0.000 0.766 15 A CB 0.028 18.843 19.000 -0.308 0.000 1.003 15 A HN 0.932 nan 8.150 nan 0.000 0.497 16 G N -0.596 108.138 108.800 -0.110 0.000 2.355 16 G HA2 0.342 4.302 3.960 -0.000 0.000 0.619 16 G HA3 0.342 4.302 3.960 -0.000 0.000 0.619 16 G C -0.973 173.868 174.900 -0.098 0.000 1.337 16 G CA -0.437 44.609 45.100 -0.090 0.000 0.993 16 G HN 1.404 nan 8.290 nan 0.000 0.599 17 V N 1.484 121.364 119.914 -0.057 0.000 2.498 17 V HA 0.645 4.765 4.120 -0.000 0.000 0.279 17 V C 0.676 176.740 176.094 -0.050 0.000 1.048 17 V CA 0.563 62.833 62.300 -0.050 0.000 0.967 17 V CB 1.063 32.923 31.823 0.062 0.000 0.988 17 V HN 1.063 nan 8.190 nan 0.000 0.473 18 K N 1.981 122.331 120.400 -0.084 0.000 2.466 18 K HA 0.624 4.944 4.320 -0.000 0.000 0.260 18 K C -1.397 175.143 176.600 -0.100 0.000 1.011 18 K CA -1.088 55.161 56.287 -0.063 0.000 0.871 18 K CB 1.690 34.164 32.500 -0.043 0.000 1.404 18 K HN 0.318 nan 8.250 nan 0.000 0.450 19 D N 0.892 121.265 120.400 -0.045 0.000 2.424 19 D HA 0.050 4.690 4.640 -0.000 0.000 0.244 19 D C 0.578 176.889 176.300 0.017 0.000 1.134 19 D CA 0.128 54.118 54.000 -0.018 0.000 0.881 19 D CB 0.266 41.086 40.800 0.032 0.000 1.191 19 D HN 0.454 nan 8.370 nan 0.000 0.445 20 Y N 1.447 121.801 120.300 0.090 0.000 2.207 20 Y HA -0.231 4.319 4.550 -0.000 0.000 0.287 20 Y C 2.409 178.429 175.900 0.201 0.000 1.156 20 Y CA 1.281 59.473 58.100 0.154 0.000 1.182 20 Y CB -0.265 38.220 38.460 0.042 0.000 0.979 20 Y HN 0.465 nan 8.280 nan 0.000 0.521 21 R N 0.553 121.212 120.500 0.265 0.000 2.241 21 R HA -0.136 4.204 4.340 -0.000 0.000 0.224 21 R C 1.581 177.997 176.300 0.193 0.000 1.101 21 R CA 1.550 57.781 56.100 0.218 0.000 0.995 21 R CB -1.040 29.322 30.300 0.102 0.000 0.870 21 R HN 0.373 nan 8.270 nan 0.000 0.463 22 L N 0.664 121.967 121.223 0.133 0.000 2.201 22 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 22 L C 1.505 178.386 176.870 0.019 0.000 1.105 22 L CA 1.383 56.266 54.840 0.070 0.000 0.775 22 L CB -0.165 41.918 42.059 0.040 0.000 0.913 22 L HN 0.282 nan 8.230 nan 0.000 0.440 23 T N -3.112 111.445 114.554 0.006 0.000 3.019 23 T HA 0.057 4.407 4.350 -0.000 0.000 0.247 23 T C 1.016 175.498 174.700 -0.363 0.000 0.992 23 T CA 0.279 62.230 62.100 -0.248 0.000 1.036 23 T CB 0.129 68.730 68.868 -0.445 0.000 1.063 23 T HN 0.115 nan 8.240 nan 0.000 0.476 24 Y N -0.325 120.022 120.300 0.078 0.000 2.467 24 Y HA 0.419 4.969 4.550 0.000 0.000 0.250 24 Y C 0.010 175.964 175.900 0.090 0.000 1.155 24 Y CA -1.141 56.989 58.100 0.050 0.000 1.249 24 Y CB 0.451 38.938 38.460 0.045 0.000 1.146 24 Y HN 0.167 nan 8.280 nan 0.000 0.524 25 Y N 2.249 122.600 120.300 0.084 0.000 2.434 25 Y HA 0.407 4.957 4.550 0.000 0.000 0.341 25 Y C 0.020 175.940 175.900 0.033 0.000 0.965 25 Y CA -1.458 56.671 58.100 0.048 0.000 1.205 25 Y CB 0.676 39.159 38.460 0.038 0.000 1.121 25 Y HN 0.033 nan 8.280 nan 0.000 0.507 26 T N 5.570 119.939 114.554 -0.308 0.000 3.317 26 T HA 0.276 4.626 4.350 -0.000 0.000 0.361 26 T C -2.356 172.193 174.700 -0.252 0.000 1.499 26 T CA -1.800 60.151 62.100 -0.247 0.000 1.529 26 T CB 1.045 69.847 68.868 -0.111 0.000 0.997 26 T HN 0.443 nan 8.240 nan 0.000 0.624 27 P HA 0.042 nan 4.420 nan 0.000 0.226 27 P C 0.263 177.526 177.300 -0.062 0.000 1.153 27 P CA 0.764 63.675 63.100 -0.315 0.000 0.777 27 P CB 0.231 31.689 31.700 -0.405 0.000 0.794 28 D N -1.963 118.411 120.400 -0.044 0.000 2.340 28 D HA 0.005 4.645 4.640 -0.000 0.000 0.217 28 D C 0.385 176.707 176.300 0.037 0.000 1.081 28 D CA -0.323 53.677 54.000 -0.001 0.000 0.842 28 D CB -0.540 40.250 40.800 -0.016 0.000 0.934 28 D HN 0.185 nan 8.370 nan 0.000 0.511 29 Y N 1.779 122.046 120.300 -0.056 0.000 2.526 29 Y HA 0.117 4.667 4.550 -0.000 0.000 0.330 29 Y C -0.138 175.694 175.900 -0.113 0.000 1.156 29 Y CA -0.221 57.835 58.100 -0.074 0.000 1.419 29 Y CB 0.622 39.047 38.460 -0.058 0.000 1.250 29 Y HN -0.326 nan 8.280 nan 0.000 0.540 30 V N 8.665 128.126 119.914 -0.755 0.000 2.348 30 V HA 0.192 4.312 4.120 -0.000 0.000 0.270 30 V C -0.255 175.191 176.094 -1.080 0.000 1.037 30 V CA -0.812 61.080 62.300 -0.680 0.000 0.872 30 V CB 0.666 32.256 31.823 -0.390 0.000 1.002 30 V HN 0.746 nan 8.190 nan 0.000 0.464 31 V N 4.737 124.144 119.914 -0.845 0.000 2.763 31 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 31 V C 0.472 176.329 176.094 -0.394 0.000 1.059 31 V CA -0.355 61.552 62.300 -0.654 0.000 1.138 31 V CB 0.130 31.639 31.823 -0.524 0.000 0.940 31 V HN 0.857 nan 8.190 nan 0.000 0.489 32 R N 3.078 123.440 120.500 -0.231 0.000 2.500 32 R HA 0.361 4.701 4.340 -0.000 0.000 0.277 32 R C 0.216 176.463 176.300 -0.088 0.000 1.026 32 R CA -0.577 55.446 56.100 -0.128 0.000 1.058 32 R CB 0.645 30.916 30.300 -0.049 0.000 1.078 32 R HN 0.746 nan 8.270 nan 0.000 0.509 33 D N 0.552 120.912 120.400 -0.067 0.000 2.348 33 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 33 D C 1.405 177.687 176.300 -0.030 0.000 0.970 33 D CA 1.317 55.288 54.000 -0.049 0.000 0.889 33 D CB 0.150 40.929 40.800 -0.034 0.000 0.912 33 D HN 0.643 nan 8.370 nan 0.000 0.524 34 T N -2.569 111.977 114.554 -0.014 0.000 3.086 34 T HA 0.031 4.381 4.350 -0.000 0.000 0.250 34 T C 0.501 175.208 174.700 0.013 0.000 1.074 34 T CA -0.478 61.628 62.100 0.011 0.000 0.988 34 T CB 0.327 69.213 68.868 0.031 0.000 0.988 34 T HN -0.250 nan 8.240 nan 0.000 0.530 35 D N 1.700 122.103 120.400 0.004 0.000 2.382 35 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 35 D C -0.178 176.112 176.300 -0.017 0.000 1.120 35 D CA -0.452 53.570 54.000 0.036 0.000 0.890 35 D CB 0.736 41.563 40.800 0.046 0.000 1.201 35 D HN 0.209 nan 8.370 nan 0.000 0.433 36 I N 2.353 122.935 120.570 0.020 0.000 2.416 36 I HA 0.118 4.288 4.170 -0.000 0.000 0.288 36 I C 0.083 176.239 176.117 0.066 0.000 1.051 36 I CA -0.060 61.199 61.300 -0.069 0.000 1.375 36 I CB 0.430 38.261 38.000 -0.282 0.000 1.407 36 I HN 0.055 nan 8.210 nan 0.000 0.516 37 L N 6.152 127.284 121.223 -0.152 0.000 2.334 37 L HA 0.884 5.224 4.340 -0.000 0.000 0.276 37 L C -0.074 176.683 176.870 -0.188 0.000 1.014 37 L CA -0.827 53.914 54.840 -0.166 0.000 0.815 37 L CB 1.576 43.334 42.059 -0.500 0.000 1.268 37 L HN 0.647 nan 8.230 nan 0.000 0.428 38 A N 1.871 124.764 122.820 0.122 0.000 2.371 38 A HA 0.854 5.174 4.320 -0.000 0.000 0.311 38 A C -0.586 177.076 177.584 0.131 0.000 1.068 38 A CA -0.546 51.520 52.037 0.048 0.000 0.744 38 A CB 1.660 20.625 19.000 -0.057 0.000 1.239 38 A HN 0.758 nan 8.150 nan 0.000 0.435 39 A N 2.014 124.821 122.820 -0.022 0.000 2.273 39 A HA 0.699 5.019 4.320 -0.000 0.000 0.320 39 A C -1.123 176.140 177.584 -0.535 0.000 1.358 39 A CA -0.246 51.553 52.037 -0.398 0.000 0.910 39 A CB -0.334 18.289 19.000 -0.629 0.000 1.159 39 A HN 0.614 nan 8.150 nan 0.000 0.526 40 F N 1.700 121.464 119.950 -0.311 0.000 2.411 40 F HA 0.422 4.949 4.527 -0.000 0.000 0.352 40 F C 0.973 176.636 175.800 -0.229 0.000 1.123 40 F CA -0.328 57.528 58.000 -0.240 0.000 1.044 40 F CB 1.526 40.391 39.000 -0.225 0.000 1.135 40 F HN 0.594 nan 8.300 nan 0.000 0.461 41 R N 5.621 126.122 120.500 0.002 0.000 2.242 41 R HA 0.377 4.717 4.340 -0.000 0.000 0.334 41 R C -0.763 175.559 176.300 0.036 0.000 1.071 41 R CA -0.176 55.934 56.100 0.016 0.000 0.922 41 R CB 0.418 30.730 30.300 0.020 0.000 1.023 41 R HN 0.839 nan 8.270 nan 0.000 0.458 42 M N 3.930 123.557 119.600 0.044 0.000 2.253 42 M HA 0.299 4.779 4.480 -0.000 0.000 0.314 42 M C -1.340 175.012 176.300 0.086 0.000 1.019 42 M CA -0.286 55.025 55.300 0.018 0.000 0.932 42 M CB 2.260 34.842 32.600 -0.029 0.000 1.606 42 M HN 0.400 nan 8.290 nan 0.000 0.430 43 T N 6.210 120.801 114.554 0.061 0.000 2.963 43 T HA 0.460 4.810 4.350 -0.000 0.000 0.343 43 T C -2.655 172.085 174.700 0.068 0.000 1.146 43 T CA -1.147 61.004 62.100 0.085 0.000 1.016 43 T CB 0.565 69.474 68.868 0.070 0.000 1.046 43 T HN 0.458 nan 8.240 nan 0.000 0.496 44 P HA 0.139 nan 4.420 nan 0.000 0.272 44 P C 0.139 177.465 177.300 0.043 0.000 1.223 44 P CA -0.576 62.546 63.100 0.036 0.000 0.784 44 P CB 0.574 32.284 31.700 0.017 0.000 0.923 45 Q N 2.451 122.268 119.800 0.028 0.000 2.421 45 Q HA 0.141 4.481 4.340 -0.000 0.000 0.255 45 Q C -1.890 174.126 176.000 0.028 0.000 1.013 45 Q CA -1.301 54.520 55.803 0.029 0.000 0.895 45 Q CB -0.591 28.163 28.738 0.026 0.000 1.271 45 Q HN 0.365 nan 8.270 nan 0.000 0.460 46 P HA -0.078 nan 4.420 nan 0.000 0.264 46 P C 0.540 177.851 177.300 0.018 0.000 1.183 46 P CA 0.981 64.096 63.100 0.025 0.000 0.763 46 P CB 0.263 31.976 31.700 0.021 0.000 0.807 47 G N 1.405 110.213 108.800 0.015 0.000 2.176 47 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.253 47 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.253 47 G C -0.096 174.804 174.900 0.001 0.000 0.979 47 G CA -0.047 45.058 45.100 0.008 0.000 0.641 47 G HN 0.546 nan 8.290 nan 0.000 0.530 48 V N 2.341 122.253 119.914 -0.004 0.000 2.333 48 V HA 0.451 4.571 4.120 -0.000 0.000 0.274 48 V C -1.539 174.518 176.094 -0.061 0.000 1.028 48 V CA -1.640 60.647 62.300 -0.021 0.000 0.851 48 V CB 1.410 33.227 31.823 -0.011 0.000 1.000 48 V HN 0.124 nan 8.190 nan 0.000 0.456 49 P HA 0.161 nan 4.420 nan 0.000 0.267 49 P C -2.047 175.110 177.300 -0.238 0.000 1.200 49 P CA -1.148 61.865 63.100 -0.145 0.000 0.772 49 P CB 0.177 31.798 31.700 -0.133 0.000 0.855 50 P HA -0.178 nan 4.420 nan 0.000 0.218 50 P C 1.023 178.052 177.300 -0.452 0.000 1.148 50 P CA 1.481 64.237 63.100 -0.574 0.000 0.822 50 P CB 0.070 31.151 31.700 -1.032 0.000 0.784 51 E N -0.444 119.472 120.200 -0.474 0.000 2.072 51 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 51 E C 2.022 178.376 176.600 -0.411 0.000 0.985 51 E CA 1.085 57.080 56.400 -0.675 0.000 0.801 51 E CB -0.674 28.483 29.700 -0.905 0.000 0.750 51 E HN 0.240 nan 8.360 nan 0.000 0.452 52 E N -0.070 119.981 120.200 -0.248 0.000 2.152 52 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 52 E C 1.798 178.328 176.600 -0.116 0.000 0.983 52 E CA 0.756 57.096 56.400 -0.100 0.000 0.818 52 E CB -0.446 29.231 29.700 -0.038 0.000 0.758 52 E HN 0.289 nan 8.360 nan 0.000 0.467 53 C N -0.601 118.590 119.300 -0.182 0.000 2.466 53 C HA 0.160 4.620 4.460 -0.000 0.000 0.278 53 C C 2.646 177.467 174.990 -0.282 0.000 1.288 53 C CA 1.183 60.073 59.018 -0.213 0.000 1.722 53 C CB -1.289 26.338 27.740 -0.188 0.000 2.017 53 C HN 0.625 nan 8.230 nan 0.000 0.488 54 G N 0.053 108.700 108.800 -0.255 0.000 2.418 54 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 54 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 54 G C 1.933 176.714 174.900 -0.199 0.000 1.158 54 G CA 1.085 46.053 45.100 -0.220 0.000 0.771 54 G HN 0.700 nan 8.290 nan 0.000 0.545 55 A N 1.070 123.808 122.820 -0.136 0.000 1.930 55 A HA 0.339 4.659 4.320 -0.000 0.000 0.217 55 A C 2.803 180.197 177.584 -0.317 0.000 1.175 55 A CA 2.072 54.082 52.037 -0.045 0.000 0.627 55 A CB -0.709 18.369 19.000 0.130 0.000 0.815 55 A HN 0.731 nan 8.150 nan 0.000 0.443 56 A N -0.445 122.053 122.820 -0.535 0.000 1.877 56 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 56 A C 2.235 179.213 177.584 -1.010 0.000 1.186 56 A CA 1.807 53.139 52.037 -1.176 0.000 0.620 56 A CB -1.004 17.447 19.000 -0.915 0.000 0.822 56 A HN 0.370 nan 8.150 nan 0.000 0.443 57 V N -0.071 119.394 119.914 -0.747 0.000 2.255 57 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 57 V C 3.091 178.858 176.094 -0.545 0.000 1.051 57 V CA 2.123 63.981 62.300 -0.737 0.000 1.018 57 V CB -1.309 30.014 31.823 -0.833 0.000 0.641 57 V HN 0.634 nan 8.190 nan 0.000 0.445 58 A N -0.140 122.439 122.820 -0.402 0.000 1.883 58 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 58 A C 2.429 179.823 177.584 -0.316 0.000 1.186 58 A CA 2.390 54.284 52.037 -0.238 0.000 0.624 58 A CB -0.893 18.042 19.000 -0.108 0.000 0.822 58 A HN 0.600 nan 8.150 nan 0.000 0.444 59 A N -0.542 121.871 122.820 -0.678 0.000 1.858 59 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 59 A C 1.863 179.114 177.584 -0.554 0.000 1.190 59 A CA 1.611 52.971 52.037 -1.128 0.000 0.617 59 A CB -0.411 17.809 19.000 -1.300 0.000 0.827 59 A HN 0.498 nan 8.150 nan 0.000 0.443 60 E N 0.207 120.097 120.200 -0.518 0.000 2.489 60 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 60 E C 1.341 177.849 176.600 -0.154 0.000 1.057 60 E CA 0.793 57.014 56.400 -0.299 0.000 0.866 60 E CB -0.002 29.426 29.700 -0.453 0.000 0.916 60 E HN 0.716 nan 8.360 nan 0.000 0.500 61 S N -0.834 114.791 115.700 -0.124 0.000 2.554 61 S HA 0.119 4.589 4.470 -0.000 0.000 0.226 61 S C 1.418 176.077 174.600 0.099 0.000 0.980 61 S CA 0.269 58.489 58.200 0.033 0.000 0.939 61 S CB 0.318 63.604 63.200 0.143 0.000 0.832 61 S HN 0.142 nan 8.310 nan 0.000 0.486 62 S N 1.405 117.136 115.700 0.051 0.000 4.207 62 S HA 0.168 4.638 4.470 -0.000 0.000 0.177 62 S C 1.335 175.954 174.600 0.032 0.000 0.981 62 S CA 0.601 58.851 58.200 0.084 0.000 1.097 62 S CB -0.175 63.151 63.200 0.210 0.000 1.525 62 S HN 0.546 nan 8.310 nan 0.000 0.686 63 T N -1.169 113.421 114.554 0.060 0.000 3.009 63 T HA 0.491 4.841 4.350 -0.000 0.000 0.267 63 T C 0.730 175.481 174.700 0.085 0.000 0.942 63 T CA 0.383 62.534 62.100 0.085 0.000 0.883 63 T CB 0.262 69.238 68.868 0.180 0.000 1.192 63 T HN 0.744 nan 8.240 nan 0.000 0.524 64 G N 0.291 109.098 108.800 0.012 0.000 2.441 64 G HA2 0.581 4.541 3.960 -0.000 0.000 0.334 64 G HA3 0.581 4.541 3.960 -0.000 0.000 0.334 64 G C -0.897 174.053 174.900 0.083 0.000 1.161 64 G CA -0.314 44.818 45.100 0.054 0.000 0.935 64 G HN 0.262 nan 8.290 nan 0.000 0.488 65 T N -0.989 113.645 114.554 0.133 0.000 2.676 65 T HA 0.416 4.766 4.350 -0.000 0.000 0.269 65 T C 0.829 175.667 174.700 0.230 0.000 0.952 65 T CA -0.455 61.771 62.100 0.210 0.000 1.040 65 T CB 0.780 69.726 68.868 0.130 0.000 1.352 65 T HN 0.683 nan 8.240 nan 0.000 0.554 66 W N 0.664 122.059 121.300 0.159 0.000 2.595 66 W HA 0.263 4.923 4.660 0.000 0.000 0.257 66 W C 0.341 176.834 176.519 -0.044 0.000 1.267 66 W CA 0.517 57.910 57.345 0.080 0.000 1.300 66 W CB -1.081 28.445 29.460 0.110 0.000 1.120 66 W HN 0.533 nan 8.180 nan 0.000 0.618 67 T N 0.825 114.953 114.554 -0.709 0.000 2.883 67 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 67 T C -0.503 173.975 174.700 -0.370 0.000 1.117 67 T CA -0.349 61.335 62.100 -0.694 0.000 1.006 67 T CB 1.851 69.938 68.868 -1.303 0.000 1.191 67 T HN -0.219 nan 8.240 nan 0.000 0.508 68 T N 2.613 117.057 114.554 -0.183 0.000 2.834 68 T HA 0.451 4.801 4.350 -0.000 0.000 0.298 68 T C 0.205 174.965 174.700 0.101 0.000 0.966 68 T CA -0.370 61.730 62.100 0.000 0.000 1.141 68 T CB 0.116 69.031 68.868 0.079 0.000 0.905 68 T HN 0.651 nan 8.240 nan 0.000 0.535 69 V N 3.119 123.039 119.914 0.010 0.000 2.581 69 V HA 0.489 4.609 4.120 -0.000 0.000 0.303 69 V C 1.143 177.055 176.094 -0.303 0.000 1.041 69 V CA -1.145 61.060 62.300 -0.157 0.000 0.907 69 V CB 1.305 32.965 31.823 -0.272 0.000 0.994 69 V HN 1.042 nan 8.190 nan 0.000 0.442 70 W N 2.470 123.297 121.300 -0.789 0.000 2.467 70 W HA -0.074 4.586 4.660 -0.000 0.000 0.275 70 W C 1.442 177.731 176.519 -0.383 0.000 1.239 70 W CA 1.311 58.079 57.345 -0.962 0.000 1.266 70 W CB -1.641 26.962 29.460 -1.428 0.000 1.112 70 W HN 0.750 nan 8.180 nan 0.000 0.576 71 T N -0.992 112.960 114.554 -1.003 0.000 2.962 71 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 71 T C 1.129 175.608 174.700 -0.368 0.000 1.088 71 T CA 1.537 63.080 62.100 -0.928 0.000 1.127 71 T CB -0.638 67.580 68.868 -1.084 0.000 0.883 71 T HN -0.106 nan 8.240 nan 0.000 0.493 72 D N 2.109 122.361 120.400 -0.246 0.000 2.172 72 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 72 D C 2.295 178.574 176.300 -0.034 0.000 0.999 72 D CA 1.516 55.458 54.000 -0.096 0.000 0.856 72 D CB -0.914 39.864 40.800 -0.036 0.000 0.934 72 D HN 0.613 nan 8.370 nan 0.000 0.453 73 G N -0.059 108.739 108.800 -0.002 0.000 2.484 73 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 73 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 73 G C 1.629 176.559 174.900 0.050 0.000 1.130 73 G CA -0.011 45.120 45.100 0.051 0.000 0.784 73 G HN 0.278 nan 8.290 nan 0.000 0.543 74 L N -0.184 121.055 121.223 0.027 0.000 2.313 74 L HA 0.132 4.472 4.340 -0.000 0.000 0.214 74 L C 1.744 178.628 176.870 0.022 0.000 1.119 74 L CA 0.554 55.412 54.840 0.031 0.000 0.809 74 L CB -0.079 41.985 42.059 0.007 0.000 0.933 74 L HN 0.220 nan 8.230 nan 0.000 0.449 75 T N -2.354 112.211 114.554 0.018 0.000 2.762 75 T HA 0.288 4.638 4.350 -0.000 0.000 0.272 75 T C -0.397 174.358 174.700 0.092 0.000 0.982 75 T CA -0.470 61.670 62.100 0.067 0.000 1.013 75 T CB 1.955 70.848 68.868 0.040 0.000 1.309 75 T HN -0.116 nan 8.240 nan 0.000 0.572 76 S N 1.661 117.459 115.700 0.164 0.000 2.532 76 S HA 0.351 4.821 4.470 -0.000 0.000 0.318 76 S C 0.939 175.603 174.600 0.107 0.000 1.083 76 S CA -0.715 57.534 58.200 0.081 0.000 1.131 76 S CB 0.276 63.477 63.200 0.000 0.000 0.973 76 S HN 0.583 nan 8.310 nan 0.000 0.468 77 L N 4.449 125.709 121.223 0.062 0.000 2.079 77 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 77 L C 1.791 178.644 176.870 -0.027 0.000 1.081 77 L CA 1.976 56.842 54.840 0.044 0.000 0.752 77 L CB -0.455 41.595 42.059 -0.016 0.000 0.896 77 L HN 0.602 nan 8.230 nan 0.000 0.433 78 D N -0.896 119.461 120.400 -0.072 0.000 2.133 78 D HA -0.255 4.385 4.640 -0.000 0.000 0.195 78 D C 2.300 178.516 176.300 -0.140 0.000 0.997 78 D CA 1.229 55.163 54.000 -0.109 0.000 0.840 78 D CB -0.138 40.611 40.800 -0.086 0.000 0.947 78 D HN 0.316 nan 8.370 nan 0.000 0.452 79 R N -0.892 119.487 120.500 -0.201 0.000 2.092 79 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 79 R C 1.459 177.500 176.300 -0.432 0.000 1.119 79 R CA 1.144 57.009 56.100 -0.392 0.000 0.970 79 R CB 0.019 29.925 30.300 -0.657 0.000 0.864 79 R HN 0.249 nan 8.270 nan 0.000 0.440 80 Y N 0.357 120.638 120.300 -0.031 0.000 2.498 80 Y HA 0.146 4.696 4.550 -0.000 0.000 0.259 80 Y C 0.162 176.061 175.900 -0.002 0.000 1.086 80 Y CA -0.268 57.819 58.100 -0.021 0.000 1.287 80 Y CB 0.189 38.634 38.460 -0.025 0.000 1.146 80 Y HN -0.071 nan 8.280 nan 0.000 0.523 81 K N 1.411 121.881 120.400 0.116 0.000 2.436 81 K HA 0.290 4.610 4.320 -0.000 0.000 0.275 81 K C 0.601 177.253 176.600 0.087 0.000 0.999 81 K CA 0.117 56.490 56.287 0.144 0.000 0.980 81 K CB 0.617 33.129 32.500 0.019 0.000 0.919 81 K HN 0.149 nan 8.250 nan 0.000 0.484 82 G N 2.596 111.493 108.800 0.161 0.000 2.544 82 G HA2 0.172 4.132 3.960 -0.000 0.000 0.242 82 G HA3 0.172 4.132 3.960 -0.000 0.000 0.242 82 G C -0.768 174.131 174.900 -0.002 0.000 1.247 82 G CA -0.802 44.287 45.100 -0.018 0.000 0.840 82 G HN 0.661 nan 8.290 nan 0.000 0.578 83 R N 0.362 120.781 120.500 -0.135 0.000 2.502 83 R HA 0.256 4.596 4.340 -0.000 0.000 0.298 83 R C -0.941 175.387 176.300 0.046 0.000 1.018 83 R CA -0.630 55.424 56.100 -0.076 0.000 0.899 83 R CB 1.690 31.792 30.300 -0.330 0.000 1.181 83 R HN 0.540 nan 8.270 nan 0.000 0.444 84 C N 5.416 124.767 119.300 0.085 0.000 2.520 84 C HA 0.169 4.629 4.460 -0.000 0.000 0.369 84 C C 1.045 176.117 174.990 0.137 0.000 1.244 84 C CA -0.382 58.702 59.018 0.110 0.000 1.677 84 C CB -1.239 26.592 27.740 0.152 0.000 2.324 84 C HN 0.977 nan 8.230 nan 0.000 0.557 85 Y N 1.937 122.313 120.300 0.128 0.000 2.467 85 Y HA 0.535 5.085 4.550 0.000 0.000 0.250 85 Y C 0.209 176.174 175.900 0.108 0.000 1.155 85 Y CA -0.460 57.692 58.100 0.086 0.000 1.249 85 Y CB 0.002 38.580 38.460 0.198 0.000 1.146 85 Y HN 0.525 nan 8.280 nan 0.000 0.524 86 D N 0.485 120.806 120.400 -0.131 0.000 2.745 86 D HA 0.430 5.070 4.640 -0.000 0.000 0.221 86 D C -1.741 174.674 176.300 0.192 0.000 1.237 86 D CA -0.384 53.635 54.000 0.031 0.000 0.781 86 D CB 1.785 42.524 40.800 -0.102 0.000 1.575 86 D HN 0.177 nan 8.370 nan 0.000 0.482 87 I N 2.323 123.031 120.570 0.230 0.000 2.468 87 I HA 0.290 4.460 4.170 -0.000 0.000 0.285 87 I C -0.338 175.920 176.117 0.235 0.000 1.039 87 I CA -0.574 60.853 61.300 0.212 0.000 1.074 87 I CB 1.944 40.002 38.000 0.098 0.000 1.228 87 I HN 0.149 nan 8.210 nan 0.000 0.436 88 E N 7.809 128.178 120.200 0.281 0.000 2.175 88 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 88 E C -2.377 174.361 176.600 0.231 0.000 0.969 88 E CA -1.855 54.688 56.400 0.239 0.000 0.796 88 E CB 1.484 31.339 29.700 0.258 0.000 1.104 88 E HN 0.258 nan 8.360 nan 0.000 0.395 89 P HA 0.009 nan 4.420 nan 0.000 0.272 89 P C -0.473 176.813 177.300 -0.024 0.000 1.223 89 P CA -0.226 62.899 63.100 0.041 0.000 0.784 89 P CB 0.774 32.493 31.700 0.031 0.000 0.923 90 V N 4.743 124.582 119.914 -0.125 0.000 2.406 90 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 90 V C -1.753 174.297 176.094 -0.073 0.000 1.043 90 V CA -1.776 60.481 62.300 -0.071 0.000 0.915 90 V CB 0.704 32.483 31.823 -0.073 0.000 0.988 90 V HN 0.578 nan 8.190 nan 0.000 0.466 91 P HA 0.216 nan 4.420 nan 0.000 0.267 91 P C 0.842 178.123 177.300 -0.032 0.000 1.205 91 P CA 0.894 63.974 63.100 -0.033 0.000 0.765 91 P CB 0.987 32.674 31.700 -0.021 0.000 0.828 92 G N 1.698 110.478 108.800 -0.033 0.000 2.175 92 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.244 92 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.244 92 G C -0.149 174.729 174.900 -0.036 0.000 0.982 92 G CA -0.259 44.826 45.100 -0.026 0.000 0.641 92 G HN 0.571 nan 8.290 nan 0.000 0.527 93 E N 0.300 120.462 120.200 -0.064 0.000 2.224 93 E HA 0.434 4.784 4.350 -0.000 0.000 0.265 93 E C 0.040 176.564 176.600 -0.127 0.000 0.878 93 E CA -0.352 55.996 56.400 -0.087 0.000 0.759 93 E CB 1.486 31.123 29.700 -0.106 0.000 1.164 93 E HN 0.272 nan 8.360 nan 0.000 0.414 94 D N 1.101 121.445 120.400 -0.094 0.000 2.213 94 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 94 D C 0.870 177.094 176.300 -0.126 0.000 0.961 94 D CA 0.662 54.611 54.000 -0.085 0.000 0.853 94 D CB 0.232 41.013 40.800 -0.032 0.000 0.967 94 D HN 0.171 nan 8.370 nan 0.000 0.496 95 N N -0.191 118.429 118.700 -0.133 0.000 2.365 95 N HA 0.105 4.845 4.740 -0.000 0.000 0.257 95 N C -1.217 174.208 175.510 -0.141 0.000 1.287 95 N CA -0.089 52.914 53.050 -0.079 0.000 0.882 95 N CB 0.408 38.911 38.487 0.027 0.000 1.250 95 N HN -0.018 nan 8.380 nan 0.000 0.507 96 Q N 0.296 119.869 119.800 -0.379 0.000 2.353 96 Q HA 0.403 4.743 4.340 -0.000 0.000 0.268 96 Q C -1.482 174.172 176.000 -0.577 0.000 1.045 96 Q CA -0.678 54.956 55.803 -0.282 0.000 0.811 96 Q CB 1.931 30.591 28.738 -0.130 0.000 1.305 96 Q HN 0.232 nan 8.270 nan 0.000 0.447 97 Y N 1.031 121.328 120.300 -0.004 0.000 2.524 97 Y HA 0.415 4.965 4.550 -0.000 0.000 0.347 97 Y C -0.394 175.492 175.900 -0.023 0.000 1.005 97 Y CA -1.112 56.985 58.100 -0.005 0.000 1.025 97 Y CB 1.415 39.864 38.460 -0.018 0.000 1.275 97 Y HN 0.418 nan 8.280 nan 0.000 0.460 98 I N 2.818 123.463 120.570 0.124 0.000 2.297 98 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 98 I C 0.166 176.223 176.117 -0.100 0.000 1.033 98 I CA -0.613 60.662 61.300 -0.042 0.000 1.253 98 I CB 0.358 38.314 38.000 -0.073 0.000 1.396 98 I HN 0.705 nan 8.210 nan 0.000 0.476 99 A N 7.511 130.260 122.820 -0.118 0.000 2.274 99 A HA 0.608 4.928 4.320 -0.000 0.000 0.309 99 A C -1.142 176.342 177.584 -0.165 0.000 1.226 99 A CA -0.339 51.656 52.037 -0.071 0.000 0.853 99 A CB 0.261 19.237 19.000 -0.040 0.000 1.146 99 A HN 0.546 nan 8.150 nan 0.000 0.518 100 Y N 1.681 121.927 120.300 -0.091 0.000 2.328 100 Y HA 0.481 5.031 4.550 -0.000 0.000 0.337 100 Y C 0.107 175.825 175.900 -0.303 0.000 1.008 100 Y CA -0.362 57.606 58.100 -0.219 0.000 1.129 100 Y CB 1.838 39.961 38.460 -0.561 0.000 1.185 100 Y HN 0.392 nan 8.280 nan 0.000 0.476 101 V N 3.142 123.146 119.914 0.150 0.000 2.604 101 V HA 0.799 4.919 4.120 -0.000 0.000 0.305 101 V C -0.395 175.793 176.094 0.156 0.000 1.043 101 V CA -1.008 61.344 62.300 0.087 0.000 0.888 101 V CB 1.693 33.508 31.823 -0.012 0.000 0.995 101 V HN 0.836 nan 8.190 nan 0.000 0.429 102 A N 4.240 127.132 122.820 0.120 0.000 2.303 102 A HA 0.881 5.201 4.320 -0.000 0.000 0.320 102 A C -1.329 176.140 177.584 -0.192 0.000 1.192 102 A CA -0.335 51.743 52.037 0.067 0.000 0.821 102 A CB 0.593 19.692 19.000 0.165 0.000 1.188 102 A HN 0.709 nan 8.150 nan 0.000 0.492 106 D N 1.651 122.135 120.400 0.140 0.000 2.311 106 D HA -0.049 4.591 4.640 -0.000 0.000 0.212 106 D C 1.987 178.319 176.300 0.054 0.000 0.972 106 D CA 1.254 55.337 54.000 0.138 0.000 0.887 106 D CB 0.026 40.961 40.800 0.226 0.000 0.915 106 D HN 0.435 nan 8.370 nan 0.000 0.497 107 L N -0.890 120.273 121.223 -0.101 0.000 2.478 107 L HA 0.035 4.375 4.340 -0.000 0.000 0.223 107 L C 0.080 176.560 176.870 -0.651 0.000 1.140 107 L CA 0.263 54.833 54.840 -0.450 0.000 0.842 107 L CB -0.063 41.555 42.059 -0.735 0.000 0.953 107 L HN -0.102 nan 8.230 nan 0.000 0.452 108 F N -0.451 119.453 119.950 -0.078 0.000 2.480 108 F HA 0.306 4.833 4.527 -0.000 0.000 0.329 108 F C 0.607 176.428 175.800 0.036 0.000 1.091 108 F CA -1.131 56.818 58.000 -0.084 0.000 0.972 108 F CB 1.099 39.877 39.000 -0.370 0.000 1.150 108 F HN -0.191 nan 8.300 nan 0.000 0.467 109 E N 1.858 122.210 120.200 0.252 0.000 2.344 109 E HA 0.111 4.461 4.350 -0.000 0.000 0.270 109 E C -0.767 175.969 176.600 0.225 0.000 1.021 109 E CA -0.545 55.960 56.400 0.176 0.000 0.887 109 E CB 0.571 30.332 29.700 0.101 0.000 0.997 109 E HN 0.502 nan 8.360 nan 0.000 0.429 110 E N 2.510 122.777 120.200 0.112 0.000 2.465 110 E HA 0.172 4.522 4.350 -0.000 0.000 0.260 110 E C 0.861 177.232 176.600 -0.381 0.000 0.980 110 E CA 1.281 57.640 56.400 -0.068 0.000 0.927 110 E CB 0.570 30.232 29.700 -0.063 0.000 0.934 110 E HN 0.805 nan 8.360 nan 0.000 0.459 111 G N 2.563 110.714 108.800 -1.083 0.000 2.162 111 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 111 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 111 G C 0.333 174.822 174.900 -0.686 0.000 0.976 111 G CA 0.408 44.679 45.100 -1.381 0.000 0.655 111 G HN 0.567 nan 8.290 nan 0.000 0.533 112 S N -0.366 115.157 115.700 -0.295 0.000 2.577 112 S HA 0.552 5.022 4.470 -0.000 0.000 0.294 112 S C 1.481 176.249 174.600 0.280 0.000 1.161 112 S CA 0.120 58.376 58.200 0.092 0.000 1.143 112 S CB 1.262 64.513 63.200 0.084 0.000 0.991 112 S HN 0.550 nan 8.310 nan 0.000 0.475 113 V N 4.795 124.849 119.914 0.232 0.000 2.358 113 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 113 V C 2.599 178.586 176.094 -0.177 0.000 1.047 113 V CA 2.409 64.656 62.300 -0.089 0.000 1.035 113 V CB -1.100 30.355 31.823 -0.615 0.000 0.658 113 V HN 0.843 nan 8.190 nan 0.000 0.452 114 T N 0.311 114.805 114.554 -0.099 0.000 2.620 114 T HA -0.320 4.030 4.350 -0.000 0.000 0.267 114 T C 1.914 176.694 174.700 0.133 0.000 1.044 114 T CA 2.214 64.337 62.100 0.039 0.000 1.161 114 T CB -0.559 68.372 68.868 0.104 0.000 0.862 114 T HN 0.580 nan 8.240 nan 0.000 0.438 115 N N 0.398 119.194 118.700 0.160 0.000 2.142 115 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 115 N C 2.115 177.796 175.510 0.285 0.000 1.023 115 N CA 1.196 54.362 53.050 0.193 0.000 0.852 115 N CB -0.240 38.357 38.487 0.183 0.000 0.998 115 N HN 0.417 nan 8.380 nan 0.000 0.424 116 M N -0.343 119.484 119.600 0.378 0.000 2.108 116 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 116 M C 1.471 177.957 176.300 0.309 0.000 1.066 116 M CA 1.526 57.072 55.300 0.410 0.000 1.107 116 M CB -0.139 32.630 32.600 0.283 0.000 1.356 116 M HN 0.045 nan 8.290 nan 0.000 0.406 117 F N 0.360 120.328 119.950 0.029 0.000 2.146 117 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 117 F C 2.501 178.336 175.800 0.059 0.000 1.096 117 F CA 1.738 59.749 58.000 0.018 0.000 1.275 117 F CB -1.159 37.835 39.000 -0.010 0.000 1.008 117 F HN 0.165 nan 8.300 nan 0.000 0.480 118 T N -1.181 113.519 114.554 0.244 0.000 2.720 118 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 118 T C 2.330 177.089 174.700 0.099 0.000 1.037 118 T CA 1.712 63.904 62.100 0.154 0.000 1.144 118 T CB -0.446 68.496 68.868 0.123 0.000 0.864 118 T HN 0.142 nan 8.240 nan 0.000 0.444 119 S N 0.834 116.576 115.700 0.070 0.000 2.335 119 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 119 S C 2.069 176.671 174.600 0.004 0.000 1.032 119 S CA 0.837 59.029 58.200 -0.014 0.000 0.985 119 S CB -0.315 62.797 63.200 -0.147 0.000 0.896 119 S HN 0.406 nan 8.310 nan 0.000 0.445 120 I N 1.401 121.964 120.570 -0.011 0.000 2.353 120 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 120 I C 1.632 177.905 176.117 0.259 0.000 1.119 120 I CA 0.964 62.293 61.300 0.049 0.000 1.417 120 I CB -0.068 37.873 38.000 -0.098 0.000 1.078 120 I HN 0.256 nan 8.210 nan 0.000 0.421 121 V N -3.056 116.952 119.914 0.157 0.000 3.253 121 V HA 0.471 4.591 4.120 -0.000 0.000 0.320 121 V C 1.597 177.808 176.094 0.196 0.000 1.442 121 V CA 0.290 62.743 62.300 0.254 0.000 1.097 121 V CB -0.342 31.406 31.823 -0.124 0.000 1.008 121 V HN 0.219 nan 8.190 nan 0.000 0.463 122 G N 1.800 110.706 108.800 0.176 0.000 2.434 122 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 122 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 122 G C 1.207 176.215 174.900 0.180 0.000 1.202 122 G CA 1.354 46.544 45.100 0.149 0.000 0.788 122 G HN 0.546 nan 8.290 nan 0.000 0.539 123 N N -0.388 118.439 118.700 0.211 0.000 2.382 123 N HA 0.005 4.745 4.740 -0.000 0.000 0.200 123 N C 2.301 178.027 175.510 0.359 0.000 1.122 123 N CA 0.915 54.120 53.050 0.258 0.000 0.870 123 N CB 0.316 38.961 38.487 0.262 0.000 1.176 123 N HN 0.282 nan 8.380 nan 0.000 0.474 124 V N -1.067 118.991 119.914 0.240 0.000 2.594 124 V HA -0.068 4.052 4.120 -0.000 0.000 0.253 124 V C 1.697 177.820 176.094 0.049 0.000 1.069 124 V CA 1.292 63.586 62.300 -0.010 0.000 1.082 124 V CB -1.213 30.373 31.823 -0.396 0.000 0.680 124 V HN -0.069 nan 8.190 nan 0.000 0.469 125 F N 2.455 122.459 119.950 0.089 0.000 2.451 125 F HA 0.263 4.790 4.527 -0.000 0.000 0.299 125 F C 2.326 178.253 175.800 0.212 0.000 1.101 125 F CA 1.194 59.273 58.000 0.131 0.000 1.436 125 F CB -0.677 38.385 39.000 0.103 0.000 1.074 125 F HN 0.339 nan 8.300 nan 0.000 0.553 126 G N -1.699 107.314 108.800 0.355 0.000 3.126 126 G HA2 0.036 3.996 3.960 -0.000 0.000 0.224 126 G HA3 0.036 3.996 3.960 -0.000 0.000 0.224 126 G C 0.139 175.126 174.900 0.144 0.000 1.142 126 G CA -0.226 45.004 45.100 0.217 0.000 0.759 126 G HN 0.027 nan 8.290 nan 0.000 0.550 127 F N 1.592 121.549 119.950 0.012 0.000 2.578 127 F HA 0.205 4.732 4.527 -0.000 0.000 0.381 127 F C 1.767 177.558 175.800 -0.016 0.000 1.069 127 F CA 0.091 58.079 58.000 -0.021 0.000 1.231 127 F CB 1.113 40.069 39.000 -0.073 0.000 1.086 127 F HN -0.047 nan 8.300 nan 0.000 0.564 128 K N 2.747 123.162 120.400 0.025 0.000 2.152 128 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 128 K C 1.923 178.563 176.600 0.067 0.000 1.048 128 K CA 1.392 57.692 56.287 0.021 0.000 0.933 128 K CB -0.177 32.305 32.500 -0.031 0.000 0.721 128 K HN 0.706 nan 8.250 nan 0.000 0.447 129 A N 1.126 124.021 122.820 0.125 0.000 2.209 129 A HA 0.023 4.343 4.320 -0.000 0.000 0.212 129 A C 0.662 178.278 177.584 0.054 0.000 1.158 129 A CA 0.455 52.549 52.037 0.095 0.000 0.742 129 A CB -0.516 18.563 19.000 0.132 0.000 0.790 129 A HN 0.242 nan 8.150 nan 0.000 0.472 130 L N -5.971 115.288 121.223 0.061 0.000 2.341 130 L HA 0.678 5.018 4.340 -0.000 0.000 0.267 130 L C 0.549 177.449 176.870 0.050 0.000 1.009 130 L CA -0.807 54.051 54.840 0.029 0.000 0.819 130 L CB 1.382 43.425 42.059 -0.027 0.000 1.323 130 L HN -0.036 nan 8.230 nan 0.000 0.425 131 R N 1.216 121.745 120.500 0.049 0.000 2.189 131 R HA 0.675 5.015 4.340 -0.000 0.000 0.203 131 R C -0.014 176.336 176.300 0.083 0.000 1.012 131 R CA 0.670 56.801 56.100 0.052 0.000 1.015 131 R CB 0.466 30.792 30.300 0.043 0.000 0.938 131 R HN 0.854 nan 8.270 nan 0.000 0.472 132 A N 0.742 123.638 122.820 0.127 0.000 2.605 132 A HA 0.597 4.917 4.320 -0.000 0.000 0.294 132 A C -2.104 175.587 177.584 0.178 0.000 1.062 132 A CA -0.632 51.571 52.037 0.277 0.000 0.682 132 A CB 1.671 20.806 19.000 0.226 0.000 1.278 132 A HN 0.043 nan 8.150 nan 0.000 0.410 133 L N 0.683 122.015 121.223 0.181 0.000 2.526 133 L HA 0.748 5.088 4.340 -0.000 0.000 0.263 133 L C -0.757 176.066 176.870 -0.079 0.000 0.943 133 L CA -0.078 54.672 54.840 -0.151 0.000 0.859 133 L CB 1.875 43.570 42.059 -0.606 0.000 1.313 133 L HN 0.816 nan 8.230 nan 0.000 0.406 134 R N 4.323 124.859 120.500 0.060 0.000 2.502 134 R HA 0.511 4.851 4.340 -0.000 0.000 0.300 134 R C -1.675 174.714 176.300 0.148 0.000 0.984 134 R CA -0.933 55.271 56.100 0.174 0.000 0.882 134 R CB 1.671 32.039 30.300 0.115 0.000 1.180 134 R HN 0.682 nan 8.270 nan 0.000 0.444 135 L N 4.697 126.045 121.223 0.209 0.000 2.369 135 L HA 0.153 4.493 4.340 -0.000 0.000 0.279 135 L C 0.826 177.611 176.870 -0.142 0.000 1.108 135 L CA 0.723 55.499 54.840 -0.106 0.000 0.852 135 L CB 0.870 42.859 42.059 -0.116 0.000 1.169 135 L HN 0.687 nan 8.230 nan 0.000 0.452 136 E N 2.259 122.270 120.200 -0.314 0.000 2.127 136 E HA 0.109 4.459 4.350 -0.000 0.000 0.191 136 E C -0.185 176.202 176.600 -0.355 0.000 0.964 136 E CA 0.488 56.658 56.400 -0.384 0.000 0.832 136 E CB 0.407 29.603 29.700 -0.841 0.000 0.790 136 E HN 0.690 nan 8.360 nan 0.000 0.465 137 D N -1.140 119.056 120.400 -0.340 0.000 2.622 137 D HA 0.433 5.073 4.640 -0.000 0.000 0.255 137 D C -1.475 174.890 176.300 0.109 0.000 1.246 137 D CA -0.483 53.480 54.000 -0.060 0.000 0.795 137 D CB 1.520 42.318 40.800 -0.004 0.000 1.369 137 D HN -0.150 nan 8.370 nan 0.000 0.425 138 L N 1.254 122.566 121.223 0.149 0.000 2.436 138 L HA 0.472 4.812 4.340 -0.000 0.000 0.268 138 L C -0.359 176.423 176.870 -0.148 0.000 0.974 138 L CA -0.875 53.941 54.840 -0.040 0.000 0.826 138 L CB 2.310 44.298 42.059 -0.118 0.000 1.291 138 L HN 0.175 nan 8.230 nan 0.000 0.406 139 R N 4.305 124.474 120.500 -0.552 0.000 2.204 139 R HA 0.372 4.712 4.340 -0.000 0.000 0.341 139 R C -0.894 175.195 176.300 -0.352 0.000 1.035 139 R CA -0.624 55.170 56.100 -0.509 0.000 0.887 139 R CB 0.383 30.209 30.300 -0.790 0.000 1.114 139 R HN 0.420 nan 8.270 nan 0.000 0.473 140 I N 7.666 128.036 120.570 -0.333 0.000 2.301 140 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 140 I C -1.944 174.026 176.117 -0.245 0.000 1.046 140 I CA -2.877 58.263 61.300 -0.266 0.000 1.282 140 I CB 0.880 38.692 38.000 -0.313 0.000 1.409 140 I HN 0.235 nan 8.210 nan 0.000 0.484 141 P HA 0.225 nan 4.420 nan 0.000 0.274 141 P C -2.225 175.059 177.300 -0.027 0.000 1.231 141 P CA -1.473 61.579 63.100 -0.080 0.000 0.790 141 P CB 0.440 32.122 31.700 -0.031 0.000 0.951 142 P HA -0.239 nan 4.420 nan 0.000 0.218 142 P C 1.477 178.819 177.300 0.070 0.000 1.152 142 P CA 2.437 65.553 63.100 0.026 0.000 0.857 142 P CB -0.473 31.248 31.700 0.036 0.000 0.787 143 A N -2.396 120.472 122.820 0.080 0.000 2.015 143 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 143 A C 2.181 179.877 177.584 0.188 0.000 1.163 143 A CA 1.268 53.370 52.037 0.109 0.000 0.646 143 A CB -1.554 17.501 19.000 0.091 0.000 0.806 143 A HN 0.155 nan 8.150 nan 0.000 0.448 144 Y N -0.040 120.286 120.300 0.044 0.000 2.301 144 Y HA -0.001 4.549 4.550 -0.000 0.000 0.295 144 Y C 2.354 178.391 175.900 0.227 0.000 1.119 144 Y CA 0.945 59.102 58.100 0.095 0.000 1.162 144 Y CB -0.284 38.193 38.460 0.028 0.000 1.046 144 Y HN 0.048 nan 8.280 nan 0.000 0.538 145 V N 0.794 120.785 119.914 0.128 0.000 2.324 145 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 145 V C 2.223 178.428 176.094 0.186 0.000 1.060 145 V CA 2.055 64.428 62.300 0.123 0.000 1.042 145 V CB -0.527 31.349 31.823 0.088 0.000 0.650 145 V HN 0.236 nan 8.190 nan 0.000 0.450 146 K N 0.536 121.008 120.400 0.121 0.000 2.442 146 K HA -0.076 4.244 4.320 -0.000 0.000 0.198 146 K C 2.091 178.716 176.600 0.041 0.000 1.042 146 K CA 1.492 57.831 56.287 0.088 0.000 0.958 146 K CB -0.694 31.847 32.500 0.069 0.000 0.766 146 K HN 0.770 nan 8.250 nan 0.000 0.474 147 T N -2.200 112.345 114.554 -0.015 0.000 3.088 147 T HA 0.072 4.422 4.350 -0.000 0.000 0.259 147 T C 0.592 175.076 174.700 -0.361 0.000 1.122 147 T CA -0.063 61.915 62.100 -0.203 0.000 1.095 147 T CB -0.198 68.477 68.868 -0.321 0.000 0.930 147 T HN -0.148 nan 8.240 nan 0.000 0.508 148 F N 0.655 120.521 119.950 -0.140 0.000 2.421 148 F HA 0.520 5.047 4.527 -0.000 0.000 0.337 148 F C 1.389 177.145 175.800 -0.072 0.000 1.105 148 F CA -1.281 56.648 58.000 -0.119 0.000 1.049 148 F CB 1.537 40.452 39.000 -0.142 0.000 1.139 148 F HN -0.266 nan 8.300 nan 0.000 0.479 149 V N 2.331 122.302 119.914 0.094 0.000 2.332 149 V HA -0.026 4.094 4.120 -0.000 0.000 0.248 149 V C 1.369 177.486 176.094 0.038 0.000 1.055 149 V CA 1.616 63.938 62.300 0.038 0.000 1.038 149 V CB -1.369 30.457 31.823 0.006 0.000 0.651 149 V HN 1.163 nan 8.190 nan 0.000 0.450 153 H N -0.899 118.147 119.070 -0.040 0.000 2.006 153 H HA 0.468 5.024 4.556 -0.000 0.000 0.189 153 H C 1.033 176.350 175.328 -0.018 0.000 0.887 153 H CA 1.132 57.166 56.048 -0.022 0.000 0.958 153 H CB 0.598 30.351 29.762 -0.016 0.000 1.163 153 H HN 0.290 nan 8.280 nan 0.000 0.364 154 G N 1.299 110.153 108.800 0.090 0.000 2.756 154 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.678 154 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.678 154 G C 0.822 175.764 174.900 0.070 0.000 1.349 154 G CA -0.017 45.107 45.100 0.040 0.000 0.847 154 G HN 0.201 nan 8.290 nan 0.000 0.548 155 I N 0.224 120.822 120.570 0.047 0.000 2.127 155 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 155 I C 2.996 179.159 176.117 0.075 0.000 1.075 155 I CA 2.451 63.787 61.300 0.060 0.000 1.334 155 I CB -0.375 37.650 38.000 0.041 0.000 1.040 155 I HN 0.669 nan 8.210 nan 0.000 0.405 156 Q N 0.163 120.009 119.800 0.077 0.000 2.020 156 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 156 Q C 2.336 178.399 176.000 0.104 0.000 0.982 156 Q CA 1.742 57.604 55.803 0.098 0.000 0.838 156 Q CB -0.464 28.326 28.738 0.086 0.000 0.899 156 Q HN 0.330 nan 8.270 nan 0.000 0.423 157 V N 0.958 120.929 119.914 0.095 0.000 2.332 157 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 157 V C 2.215 178.345 176.094 0.061 0.000 1.055 157 V CA 2.170 64.527 62.300 0.094 0.000 1.038 157 V CB -0.639 31.263 31.823 0.132 0.000 0.651 157 V HN 0.459 nan 8.190 nan 0.000 0.450 158 E N 0.317 120.557 120.200 0.066 0.000 2.038 158 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 158 E C 2.478 179.090 176.600 0.020 0.000 1.000 158 E CA 1.531 57.958 56.400 0.045 0.000 0.803 158 E CB -0.121 29.642 29.700 0.105 0.000 0.750 158 E HN 0.510 nan 8.360 nan 0.000 0.448 159 R N 0.361 120.864 120.500 0.006 0.000 2.091 159 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 159 R C 2.094 178.262 176.300 -0.221 0.000 1.136 159 R CA 1.663 57.677 56.100 -0.144 0.000 0.959 159 R CB -0.256 29.990 30.300 -0.090 0.000 0.856 159 R HN 0.306 nan 8.270 nan 0.000 0.437 160 D N 0.405 120.819 120.400 0.025 0.000 2.117 160 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 160 D C 1.705 178.030 176.300 0.041 0.000 0.987 160 D CA 1.279 55.354 54.000 0.125 0.000 0.829 160 D CB -0.039 40.854 40.800 0.155 0.000 0.961 160 D HN 0.194 nan 8.370 nan 0.000 0.460 161 K N -0.029 120.373 120.400 0.002 0.000 2.097 161 K HA 0.027 4.347 4.320 -0.000 0.000 0.205 161 K C 2.129 178.718 176.600 -0.018 0.000 1.050 161 K CA 0.470 56.749 56.287 -0.014 0.000 0.938 161 K CB 0.059 32.523 32.500 -0.059 0.000 0.718 161 K HN 0.144 nan 8.250 nan 0.000 0.442 162 L N 0.116 121.311 121.223 -0.046 0.000 2.341 162 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 162 L C 0.598 177.397 176.870 -0.118 0.000 1.115 162 L CA 0.128 54.933 54.840 -0.059 0.000 0.820 162 L CB -0.346 41.686 42.059 -0.046 0.000 0.944 162 L HN 0.383 nan 8.230 nan 0.000 0.452 163 N N 1.151 119.740 118.700 -0.185 0.000 2.758 163 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 163 N C -0.464 174.818 175.510 -0.380 0.000 1.076 163 N CA 0.340 53.275 53.050 -0.192 0.000 0.696 163 N CB -0.393 38.095 38.487 0.002 0.000 0.979 163 N HN 0.337 nan 8.380 nan 0.000 0.550 164 K N 1.462 121.437 120.400 -0.707 0.000 2.450 164 K HA 0.414 4.734 4.320 -0.000 0.000 0.257 164 K C -1.442 174.750 176.600 -0.681 0.000 0.953 164 K CA -0.320 55.670 56.287 -0.495 0.000 0.844 164 K CB 1.028 33.367 32.500 -0.269 0.000 1.103 164 K HN 0.120 nan 8.250 nan 0.000 0.429 165 Y N -0.551 119.757 120.300 0.014 0.000 2.562 165 Y HA 0.433 4.983 4.550 -0.000 0.000 0.345 165 Y C 1.000 176.910 175.900 0.016 0.000 1.045 165 Y CA -0.760 57.351 58.100 0.019 0.000 1.028 165 Y CB 2.534 41.005 38.460 0.018 0.000 1.297 165 Y HN 0.734 nan 8.280 nan 0.000 0.463 166 G N 1.357 110.270 108.800 0.189 0.000 2.175 166 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 166 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 166 G C -0.211 174.737 174.900 0.079 0.000 0.982 166 G CA 0.182 45.351 45.100 0.115 0.000 0.641 166 G HN 0.901 nan 8.290 nan 0.000 0.527 167 R N -1.188 119.354 120.500 0.069 0.000 2.712 167 R HA 0.629 4.969 4.340 -0.000 0.000 0.272 167 R C 0.407 176.733 176.300 0.043 0.000 1.032 167 R CA -0.521 55.611 56.100 0.053 0.000 0.874 167 R CB 0.177 30.500 30.300 0.039 0.000 1.256 167 R HN 0.996 nan 8.270 nan 0.000 0.468 168 G N 1.424 110.251 108.800 0.045 0.000 2.559 168 G HA2 0.291 4.251 3.960 -0.000 0.000 0.235 168 G HA3 0.291 4.251 3.960 -0.000 0.000 0.235 168 G C -0.098 174.813 174.900 0.018 0.000 1.266 168 G CA -0.674 44.445 45.100 0.032 0.000 0.847 168 G HN 0.380 nan 8.290 nan 0.000 0.583 169 L N 0.356 121.588 121.223 0.015 0.000 2.399 169 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 169 L C 0.282 177.187 176.870 0.057 0.000 1.114 169 L CA -0.535 54.321 54.840 0.026 0.000 0.804 169 L CB 1.047 43.175 42.059 0.114 0.000 1.146 169 L HN 0.227 nan 8.230 nan 0.000 0.451 170 L N 1.266 122.517 121.223 0.047 0.000 2.341 170 L HA 0.716 5.056 4.340 -0.000 0.000 0.278 170 L C 0.217 177.162 176.870 0.125 0.000 1.005 170 L CA -0.297 54.604 54.840 0.101 0.000 0.818 170 L CB 1.836 43.930 42.059 0.059 0.000 1.259 170 L HN 0.728 nan 8.230 nan 0.000 0.418 171 G N 0.789 109.681 108.800 0.153 0.000 3.015 171 G HA2 0.641 4.601 3.960 -0.000 0.000 0.281 171 G HA3 0.641 4.601 3.960 -0.000 0.000 0.281 171 G C -1.884 173.047 174.900 0.051 0.000 1.386 171 G CA -0.510 44.651 45.100 0.103 0.000 0.959 171 G HN 0.667 nan 8.290 nan 0.000 0.522 172 C N 0.096 119.369 119.300 -0.045 0.000 3.135 172 C HA 0.598 5.058 4.460 -0.000 0.000 0.428 172 C C -0.325 174.619 174.990 -0.077 0.000 0.972 172 C CA -0.509 58.497 59.018 -0.021 0.000 1.218 172 C CB 0.279 28.028 27.740 0.014 0.000 1.595 172 C HN 0.856 nan 8.230 nan 0.000 0.576 173 T N 7.212 121.744 114.554 -0.036 0.000 2.794 173 T HA 0.394 4.744 4.350 -0.000 0.000 0.296 173 T C 0.529 175.219 174.700 -0.015 0.000 0.949 173 T CA -0.284 61.806 62.100 -0.018 0.000 1.101 173 T CB 0.367 69.257 68.868 0.036 0.000 0.905 173 T HN 0.572 nan 8.240 nan 0.000 0.516 174 I N 4.027 124.573 120.570 -0.040 0.000 2.648 174 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 174 I C 0.697 176.777 176.117 -0.061 0.000 1.153 174 I CA 0.121 61.336 61.300 -0.141 0.000 1.426 174 I CB -0.089 37.610 38.000 -0.502 0.000 1.381 174 I HN 0.464 nan 8.210 nan 0.000 0.571 175 K N 6.563 126.929 120.400 -0.057 0.000 2.435 175 K HA 0.551 4.871 4.320 -0.000 0.000 0.251 175 K C -2.479 174.115 176.600 -0.010 0.000 0.954 175 K CA -1.629 54.658 56.287 0.000 0.000 0.820 175 K CB 1.731 34.245 32.500 0.024 0.000 1.292 175 K HN 0.287 nan 8.250 nan 0.000 0.436 176 P HA 0.102 nan 4.420 nan 0.000 0.269 176 P C 0.294 177.619 177.300 0.042 0.000 1.215 176 P CA -0.083 63.026 63.100 0.015 0.000 0.780 176 P CB 0.832 32.525 31.700 -0.012 0.000 0.898 177 K N 0.588 121.014 120.400 0.044 0.000 2.032 177 K HA -0.125 4.195 4.320 -0.000 0.000 0.218 177 K C 0.794 177.453 176.600 0.098 0.000 1.054 177 K CA 1.374 57.707 56.287 0.076 0.000 0.941 177 K CB -0.354 32.174 32.500 0.046 0.000 0.720 177 K HN 0.414 nan 8.250 nan 0.000 0.449 178 L N -2.201 119.009 121.223 -0.021 0.000 2.333 178 L HA 0.419 4.759 4.340 -0.000 0.000 0.263 178 L C 0.813 177.376 176.870 -0.512 0.000 1.014 178 L CA -0.283 54.424 54.840 -0.222 0.000 0.820 178 L CB 2.242 44.194 42.059 -0.180 0.000 1.352 178 L HN 0.493 nan 8.230 nan 0.000 0.421 179 G N 1.050 109.115 108.800 -1.226 0.000 2.238 179 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 179 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 179 G C -0.074 174.664 174.900 -0.269 0.000 0.996 179 G CA -0.543 44.078 45.100 -0.798 0.000 0.632 179 G HN 0.320 nan 8.290 nan 0.000 0.503 180 L N 2.614 123.816 121.223 -0.034 0.000 2.397 180 L HA 0.510 4.850 4.340 -0.000 0.000 0.271 180 L C 1.529 178.589 176.870 0.317 0.000 1.148 180 L CA 0.079 55.025 54.840 0.178 0.000 0.825 180 L CB 1.265 43.489 42.059 0.274 0.000 1.117 180 L HN 0.480 nan 8.230 nan 0.000 0.456 181 S N 1.905 117.738 115.700 0.222 0.000 2.600 181 S HA 0.278 4.748 4.470 -0.000 0.000 0.265 181 S C 1.149 175.865 174.600 0.193 0.000 1.325 181 S CA -0.181 58.138 58.200 0.199 0.000 1.002 181 S CB 1.530 64.792 63.200 0.103 0.000 0.921 181 S HN 0.705 nan 8.310 nan 0.000 0.554 182 A N 1.694 124.616 122.820 0.171 0.000 1.917 182 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 182 A C 2.144 179.782 177.584 0.090 0.000 1.182 182 A CA 2.154 54.331 52.037 0.233 0.000 0.633 182 A CB -1.062 18.161 19.000 0.372 0.000 0.819 182 A HN 0.983 nan 8.150 nan 0.000 0.448 183 K N -0.342 119.874 120.400 -0.306 0.000 2.057 183 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 183 K C 1.681 178.098 176.600 -0.306 0.000 1.050 183 K CA 1.650 57.445 56.287 -0.820 0.000 0.935 183 K CB -0.196 31.790 32.500 -0.858 0.000 0.715 183 K HN 0.389 nan 8.250 nan 0.000 0.439 184 N N -0.337 118.300 118.700 -0.104 0.000 2.244 184 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 184 N C 1.427 176.961 175.510 0.041 0.000 1.016 184 N CA 0.924 53.963 53.050 -0.018 0.000 0.866 184 N CB -0.301 38.199 38.487 0.021 0.000 0.980 184 N HN 0.242 nan 8.380 nan 0.000 0.430 185 Y N 1.134 121.432 120.300 -0.004 0.000 2.128 185 Y HA -0.135 4.415 4.550 -0.000 0.000 0.284 185 Y C 2.428 178.328 175.900 -0.000 0.000 1.154 185 Y CA 1.921 60.039 58.100 0.030 0.000 1.149 185 Y CB -0.599 37.908 38.460 0.079 0.000 0.976 185 Y HN 0.083 nan 8.280 nan 0.000 0.505 186 G N -0.862 108.026 108.800 0.146 0.000 2.421 186 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 186 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 186 G C 1.716 176.657 174.900 0.069 0.000 1.143 186 G CA 0.663 45.822 45.100 0.100 0.000 0.784 186 G HN 0.332 nan 8.290 nan 0.000 0.541 187 R N 0.562 121.076 120.500 0.025 0.000 2.073 187 R HA 0.017 4.357 4.340 -0.000 0.000 0.234 187 R C 2.744 179.088 176.300 0.072 0.000 1.134 187 R CA 1.640 57.777 56.100 0.061 0.000 0.952 187 R CB -0.404 29.899 30.300 0.005 0.000 0.850 187 R HN 0.244 nan 8.270 nan 0.000 0.433 188 A N 0.294 123.110 122.820 -0.006 0.000 1.930 188 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 188 A C 2.273 179.830 177.584 -0.046 0.000 1.175 188 A CA 1.341 53.349 52.037 -0.048 0.000 0.627 188 A CB -0.412 18.514 19.000 -0.123 0.000 0.815 188 A HN 0.232 nan 8.150 nan 0.000 0.443 189 V N -1.044 118.848 119.914 -0.036 0.000 2.261 189 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 189 V C 2.364 178.483 176.094 0.041 0.000 1.047 189 V CA 2.177 64.478 62.300 0.002 0.000 1.015 189 V CB -1.102 30.700 31.823 -0.034 0.000 0.642 189 V HN 0.730 nan 8.190 nan 0.000 0.446 190 Y N 1.593 121.881 120.300 -0.021 0.000 2.069 190 Y HA -0.273 4.277 4.550 -0.000 0.000 0.278 190 Y C 2.565 178.462 175.900 -0.006 0.000 1.175 190 Y CA 2.174 60.270 58.100 -0.007 0.000 1.134 190 Y CB -0.360 38.101 38.460 0.002 0.000 0.965 190 Y HN 0.288 nan 8.280 nan 0.000 0.498 191 E N -0.641 119.357 120.200 -0.336 0.000 2.106 191 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 191 E C 2.507 178.953 176.600 -0.257 0.000 0.984 191 E CA 1.217 57.375 56.400 -0.403 0.000 0.806 191 E CB -0.869 28.733 29.700 -0.163 0.000 0.750 191 E HN 0.549 nan 8.360 nan 0.000 0.458 192 C N 0.781 119.990 119.300 -0.151 0.000 2.436 192 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 192 C C 2.868 177.792 174.990 -0.110 0.000 1.241 192 C CA 0.469 59.426 59.018 -0.100 0.000 1.721 192 C CB -1.139 26.570 27.740 -0.052 0.000 2.043 192 C HN 0.364 nan 8.230 nan 0.000 0.472 193 L N 1.131 122.293 121.223 -0.102 0.000 2.046 193 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 193 L C 2.887 179.692 176.870 -0.108 0.000 1.077 193 L CA 1.834 56.626 54.840 -0.079 0.000 0.747 193 L CB -0.756 41.289 42.059 -0.022 0.000 0.896 193 L HN 0.492 nan 8.230 nan 0.000 0.432 194 R N 0.444 120.829 120.500 -0.192 0.000 2.189 194 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 194 R C 1.905 178.126 176.300 -0.132 0.000 1.092 194 R CA 1.272 57.265 56.100 -0.178 0.000 0.989 194 R CB -0.684 29.400 30.300 -0.360 0.000 0.876 194 R HN 0.250 nan 8.270 nan 0.000 0.457 195 G N -0.546 108.170 108.800 -0.139 0.000 2.813 195 G HA2 0.237 4.197 3.960 -0.000 0.000 0.209 195 G HA3 0.237 4.197 3.960 -0.000 0.000 0.209 195 G C 0.893 175.743 174.900 -0.082 0.000 1.150 195 G CA 0.292 45.329 45.100 -0.105 0.000 0.785 195 G HN 0.589 nan 8.290 nan 0.000 0.535 196 G N -0.857 107.895 108.800 -0.079 0.000 2.273 196 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.162 196 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.162 196 G C 0.214 175.066 174.900 -0.079 0.000 1.006 196 G CA -0.382 44.677 45.100 -0.069 0.000 0.704 196 G HN 0.316 nan 8.290 nan 0.000 0.487 197 L N 1.376 122.551 121.223 -0.081 0.000 2.371 197 L HA 0.391 4.731 4.340 -0.000 0.000 0.272 197 L C 1.039 177.828 176.870 -0.134 0.000 1.124 197 L CA -0.728 54.065 54.840 -0.079 0.000 0.816 197 L CB 0.706 42.739 42.059 -0.044 0.000 1.129 197 L HN -0.010 nan 8.230 nan 0.000 0.448 198 D N 1.480 121.750 120.400 -0.217 0.000 2.183 198 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 198 D C -0.083 175.844 176.300 -0.623 0.000 0.962 198 D CA 1.488 55.198 54.000 -0.484 0.000 0.849 198 D CB 0.303 40.689 40.800 -0.689 0.000 0.978 198 D HN 0.138 nan 8.370 nan 0.000 0.488 199 F N 0.066 119.988 119.950 -0.046 0.000 2.588 199 F HA 0.328 4.855 4.527 -0.000 0.000 0.314 199 F C 0.724 176.385 175.800 -0.232 0.000 1.069 199 F CA -1.030 56.881 58.000 -0.149 0.000 0.931 199 F CB 1.760 40.638 39.000 -0.204 0.000 1.260 199 F HN -0.335 nan 8.300 nan 0.000 0.465 203 D N 1.352 121.879 120.400 0.212 0.000 2.449 203 D HA -0.043 4.597 4.640 -0.000 0.000 0.236 203 D C 1.616 177.906 176.300 -0.017 0.000 1.149 203 D CA 0.152 54.207 54.000 0.092 0.000 0.878 203 D CB 1.020 41.889 40.800 0.115 0.000 1.198 203 D HN 0.408 nan 8.370 nan 0.000 0.446 204 E N 2.828 122.897 120.200 -0.219 0.000 2.187 204 E HA -0.296 4.054 4.350 -0.000 0.000 0.199 204 E C 0.735 177.227 176.600 -0.179 0.000 1.004 204 E CA 1.438 57.590 56.400 -0.413 0.000 0.813 204 E CB -0.402 28.676 29.700 -1.037 0.000 0.736 204 E HN 0.537 nan 8.360 nan 0.000 0.468 205 N N 0.913 119.563 118.700 -0.084 0.000 2.336 205 N HA -0.004 4.736 4.740 -0.000 0.000 0.189 205 N C 0.166 175.710 175.510 0.056 0.000 1.113 205 N CA 0.005 53.046 53.050 -0.014 0.000 0.858 205 N CB 0.031 38.520 38.487 0.003 0.000 0.970 205 N HN -0.028 nan 8.380 nan 0.000 0.471 206 V N 2.091 122.052 119.914 0.079 0.000 2.381 206 V HA 0.136 4.256 4.120 -0.000 0.000 0.257 206 V C 0.321 176.459 176.094 0.073 0.000 1.057 206 V CA -0.052 62.316 62.300 0.112 0.000 1.013 206 V CB -0.737 31.164 31.823 0.130 0.000 1.069 206 V HN 0.316 nan 8.190 nan 0.000 0.484 207 N N 2.562 121.292 118.700 0.049 0.000 2.871 207 N HA 0.249 4.989 4.740 -0.000 0.000 0.204 207 N C -0.131 175.412 175.510 0.055 0.000 1.233 207 N CA -0.330 52.743 53.050 0.039 0.000 1.124 207 N CB 0.525 39.009 38.487 -0.004 0.000 1.414 207 N HN 0.501 nan 8.380 nan 0.000 0.511 208 S N 0.110 115.816 115.700 0.010 0.000 2.619 208 S HA 0.477 4.947 4.470 -0.000 0.000 0.280 208 S C -1.801 172.723 174.600 -0.127 0.000 1.150 208 S CA -0.412 57.797 58.200 0.015 0.000 0.978 208 S CB 1.287 64.617 63.200 0.217 0.000 1.041 208 S HN 0.262 nan 8.310 nan 0.000 0.485 209 Q N 3.252 122.858 119.800 -0.322 0.000 2.511 209 Q HA 0.458 4.798 4.340 -0.000 0.000 0.289 209 Q C -2.139 173.567 176.000 -0.490 0.000 1.021 209 Q CA -1.747 53.769 55.803 -0.479 0.000 0.785 209 Q CB 1.903 30.117 28.738 -0.874 0.000 1.472 209 Q HN 0.280 nan 8.270 nan 0.000 0.411 210 P HA -0.177 nan 4.420 nan 0.000 0.217 210 P C 0.516 177.761 177.300 -0.092 0.000 1.148 210 P CA 1.363 64.389 63.100 -0.125 0.000 0.828 210 P CB 0.043 31.744 31.700 0.002 0.000 0.783 211 F N -2.757 117.208 119.950 0.025 0.000 2.558 211 F HA 0.302 4.829 4.527 -0.000 0.000 0.298 211 F C 0.986 176.805 175.800 0.033 0.000 1.119 211 F CA 0.049 58.067 58.000 0.030 0.000 1.451 211 F CB -0.508 38.515 39.000 0.038 0.000 1.091 211 F HN -0.196 nan 8.300 nan 0.000 0.563 212 M N 1.406 120.791 119.600 -0.358 0.000 2.310 212 M HA 0.329 4.809 4.480 -0.000 0.000 0.242 212 M C -1.467 174.681 176.300 -0.253 0.000 1.000 212 M CA -0.522 54.678 55.300 -0.167 0.000 0.970 212 M CB 1.034 33.645 32.600 0.020 0.000 2.191 212 M HN -0.193 nan 8.290 nan 0.000 0.470 213 R N 3.967 124.372 120.500 -0.157 0.000 2.441 213 R HA 0.225 4.565 4.340 -0.000 0.000 0.284 213 R C 1.118 177.325 176.300 -0.155 0.000 1.070 213 R CA -0.181 55.818 56.100 -0.168 0.000 1.047 213 R CB 0.544 30.714 30.300 -0.216 0.000 1.016 213 R HN 0.945 nan 8.270 nan 0.000 0.477 214 W N 4.331 125.530 121.300 -0.168 0.000 2.338 214 W HA -0.192 4.468 4.660 -0.000 0.000 0.304 214 W C 1.088 177.451 176.519 -0.259 0.000 1.212 214 W CA 0.837 58.068 57.345 -0.190 0.000 1.264 214 W CB -0.472 28.792 29.460 -0.327 0.000 1.142 214 W HN 0.555 nan 8.180 nan 0.000 0.512 215 R N 0.968 120.724 120.500 -1.241 0.000 2.115 215 R HA -0.114 4.226 4.340 -0.000 0.000 0.226 215 R C 1.841 177.873 176.300 -0.447 0.000 1.100 215 R CA 1.744 57.148 56.100 -1.160 0.000 0.980 215 R CB -0.328 29.030 30.300 -1.571 0.000 0.875 215 R HN -0.033 nan 8.270 nan 0.000 0.445 216 D N 0.191 120.385 120.400 -0.343 0.000 2.104 216 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 216 D C 1.837 178.158 176.300 0.034 0.000 0.994 216 D CA 1.136 55.040 54.000 -0.159 0.000 0.830 216 D CB -0.229 40.550 40.800 -0.035 0.000 0.959 216 D HN 0.233 nan 8.370 nan 0.000 0.452 217 R N -0.297 120.282 120.500 0.132 0.000 2.080 217 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 217 R C 2.321 178.801 176.300 0.301 0.000 1.137 217 R CA 1.158 57.405 56.100 0.246 0.000 0.943 217 R CB -0.406 30.006 30.300 0.188 0.000 0.846 217 R HN 0.036 nan 8.270 nan 0.000 0.431 218 F N 1.113 121.089 119.950 0.042 0.000 2.091 218 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 218 F C 2.278 178.081 175.800 0.004 0.000 1.103 218 F CA 1.207 59.250 58.000 0.072 0.000 1.228 218 F CB -0.722 38.372 39.000 0.157 0.000 0.984 218 F HN 0.085 nan 8.300 nan 0.000 0.477 219 L N -1.839 119.446 121.223 0.104 0.000 2.027 219 L HA -0.244 4.096 4.340 -0.000 0.000 0.206 219 L C 2.485 179.308 176.870 -0.079 0.000 1.074 219 L CA 1.329 56.128 54.840 -0.068 0.000 0.745 219 L CB -0.575 41.325 42.059 -0.265 0.000 0.898 219 L HN 0.047 nan 8.230 nan 0.000 0.433 220 F N -0.932 119.045 119.950 0.044 0.000 2.186 220 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 220 F C 2.376 178.177 175.800 0.001 0.000 1.090 220 F CA 0.842 58.859 58.000 0.027 0.000 1.307 220 F CB -0.941 38.084 39.000 0.042 0.000 1.019 220 F HN -0.203 nan 8.300 nan 0.000 0.489 221 V N -0.135 119.869 119.914 0.150 0.000 2.343 221 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 221 V C 2.594 178.646 176.094 -0.071 0.000 1.051 221 V CA 1.655 63.939 62.300 -0.027 0.000 1.036 221 V CB -1.319 30.383 31.823 -0.201 0.000 0.654 221 V HN 0.340 nan 8.190 nan 0.000 0.451 222 A N -0.474 122.308 122.820 -0.062 0.000 1.883 222 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 222 A C 2.297 179.812 177.584 -0.114 0.000 1.186 222 A CA 2.168 54.107 52.037 -0.164 0.000 0.624 222 A CB -0.582 18.412 19.000 -0.010 0.000 0.822 222 A HN 0.611 nan 8.150 nan 0.000 0.444 223 E N -0.266 119.967 120.200 0.056 0.000 2.058 223 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 223 E C 2.201 178.843 176.600 0.070 0.000 0.997 223 E CA 1.137 57.606 56.400 0.114 0.000 0.801 223 E CB -0.260 29.521 29.700 0.134 0.000 0.746 223 E HN 0.547 nan 8.360 nan 0.000 0.450 224 A N 1.071 123.926 122.820 0.057 0.000 1.902 224 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 224 A C 2.175 179.814 177.584 0.093 0.000 1.181 224 A CA 1.347 53.440 52.037 0.094 0.000 0.623 224 A CB -0.646 18.422 19.000 0.113 0.000 0.818 224 A HN 0.323 nan 8.150 nan 0.000 0.443 225 I N -1.778 118.767 120.570 -0.042 0.000 2.163 225 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 225 I C 2.371 178.467 176.117 -0.034 0.000 1.085 225 I CA 1.554 62.790 61.300 -0.106 0.000 1.347 225 I CB -0.375 37.434 38.000 -0.318 0.000 1.044 225 I HN 0.400 nan 8.210 nan 0.000 0.408 226 Y N 0.549 120.895 120.300 0.076 0.000 2.263 226 Y HA -0.155 4.395 4.550 -0.000 0.000 0.292 226 Y C 2.497 178.432 175.900 0.058 0.000 1.130 226 Y CA 0.885 59.020 58.100 0.058 0.000 1.179 226 Y CB -0.712 37.773 38.460 0.042 0.000 0.998 226 Y HN 0.088 nan 8.280 nan 0.000 0.532 227 K N 0.363 120.877 120.400 0.190 0.000 2.026 227 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 227 K C 2.287 179.022 176.600 0.224 0.000 1.048 227 K CA 1.338 57.698 56.287 0.121 0.000 0.929 227 K CB -0.275 32.175 32.500 -0.083 0.000 0.713 227 K HN 0.209 nan 8.250 nan 0.000 0.439 228 A N 0.931 123.927 122.820 0.295 0.000 1.930 228 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 228 A C 2.089 179.753 177.584 0.133 0.000 1.175 228 A CA 1.620 53.796 52.037 0.232 0.000 0.627 228 A CB -0.586 18.504 19.000 0.151 0.000 0.815 228 A HN 0.573 nan 8.150 nan 0.000 0.443 229 Q N -0.562 119.317 119.800 0.131 0.000 2.084 229 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 229 Q C 2.187 178.245 176.000 0.097 0.000 0.978 229 Q CA 1.530 57.398 55.803 0.108 0.000 0.844 229 Q CB -0.334 28.493 28.738 0.148 0.000 0.898 229 Q HN 0.605 nan 8.270 nan 0.000 0.426 230 A N 0.757 123.645 122.820 0.113 0.000 1.902 230 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 230 A C 1.886 179.514 177.584 0.074 0.000 1.181 230 A CA 1.669 53.755 52.037 0.082 0.000 0.623 230 A CB -0.654 18.392 19.000 0.077 0.000 0.818 230 A HN 0.624 nan 8.150 nan 0.000 0.443 231 E N -0.406 119.852 120.200 0.096 0.000 2.072 231 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 231 E C 1.979 178.614 176.600 0.060 0.000 0.985 231 E CA 1.793 58.248 56.400 0.091 0.000 0.801 231 E CB -0.093 29.696 29.700 0.147 0.000 0.750 231 E HN 0.712 nan 8.360 nan 0.000 0.452 232 T N -3.834 110.751 114.554 0.051 0.000 3.051 232 T HA 0.238 4.588 4.350 -0.000 0.000 0.255 232 T C 1.558 176.270 174.700 0.020 0.000 1.085 232 T CA 0.635 62.750 62.100 0.025 0.000 1.109 232 T CB 0.430 69.302 68.868 0.008 0.000 0.921 232 T HN 0.342 nan 8.240 nan 0.000 0.488 233 G N 1.173 109.991 108.800 0.029 0.000 2.168 233 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.263 233 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.263 233 G C -0.235 174.675 174.900 0.015 0.000 0.977 233 G CA 0.338 45.452 45.100 0.024 0.000 0.659 233 G HN 0.675 nan 8.290 nan 0.000 0.533 234 E N -0.577 119.627 120.200 0.007 0.000 2.207 234 E HA 0.529 4.879 4.350 -0.000 0.000 0.270 234 E C 0.246 176.839 176.600 -0.012 0.000 0.927 234 E CA -1.063 55.329 56.400 -0.013 0.000 0.799 234 E CB 2.446 32.124 29.700 -0.037 0.000 1.172 234 E HN 0.064 nan 8.360 nan 0.000 0.404 235 V N 3.786 123.685 119.914 -0.024 0.000 2.599 235 V HA -0.007 4.113 4.120 -0.000 0.000 0.300 235 V C 0.225 176.281 176.094 -0.062 0.000 1.034 235 V CA 0.447 62.738 62.300 -0.015 0.000 1.115 235 V CB 0.018 31.832 31.823 -0.015 0.000 0.934 235 V HN 0.507 nan 8.190 nan 0.000 0.485 236 K N 3.152 123.542 120.400 -0.017 0.000 2.340 236 K HA 0.846 5.166 4.320 -0.000 0.000 0.244 236 K C 0.043 176.671 176.600 0.046 0.000 0.973 236 K CA -0.407 55.857 56.287 -0.038 0.000 0.828 236 K CB 2.370 34.868 32.500 -0.002 0.000 1.226 236 K HN 0.852 nan 8.250 nan 0.000 0.437 237 G N 0.154 109.031 108.800 0.127 0.000 2.684 237 G HA2 0.391 4.351 3.960 -0.000 0.000 0.290 237 G HA3 0.391 4.351 3.960 -0.000 0.000 0.290 237 G C -1.942 173.163 174.900 0.343 0.000 1.425 237 G CA -0.297 44.986 45.100 0.305 0.000 0.822 237 G HN 0.554 nan 8.290 nan 0.000 0.482 238 H N 0.218 119.364 119.070 0.127 0.000 2.934 238 H HA 0.325 4.881 4.556 -0.000 0.000 0.340 238 H C -1.186 174.155 175.328 0.021 0.000 1.008 238 H CA -0.575 55.467 56.048 -0.011 0.000 1.317 238 H CB 1.377 31.124 29.762 -0.024 0.000 1.670 238 H HN 0.378 nan 8.280 nan 0.000 0.516 239 Y N 5.547 125.589 120.300 -0.430 0.000 2.680 239 Y HA 0.125 4.675 4.550 0.000 0.000 0.356 239 Y C 0.695 176.468 175.900 -0.211 0.000 1.122 239 Y CA -0.612 57.302 58.100 -0.310 0.000 1.509 239 Y CB -0.638 37.601 38.460 -0.368 0.000 1.245 239 Y HN 0.324 nan 8.280 nan 0.000 0.513 240 L N 3.645 124.879 121.223 0.019 0.000 2.360 240 L HA 0.145 4.485 4.340 -0.000 0.000 0.276 240 L C 0.660 177.526 176.870 -0.007 0.000 1.121 240 L CA 0.072 54.825 54.840 -0.145 0.000 0.845 240 L CB 0.373 41.981 42.059 -0.752 0.000 1.143 240 L HN 0.616 nan 8.230 nan 0.000 0.452 241 N N 1.801 120.575 118.700 0.124 0.000 2.420 241 N HA 0.217 4.957 4.740 -0.000 0.000 0.262 241 N C 0.482 176.132 175.510 0.232 0.000 1.144 241 N CA -0.106 53.047 53.050 0.173 0.000 0.952 241 N CB 1.058 39.633 38.487 0.146 0.000 1.081 241 N HN 0.767 nan 8.380 nan 0.000 0.480 242 A N 2.620 125.531 122.820 0.152 0.000 2.308 242 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 242 A C 0.638 178.236 177.584 0.024 0.000 1.216 242 A CA -0.082 51.983 52.037 0.046 0.000 0.864 242 A CB 0.068 19.066 19.000 -0.003 0.000 0.902 242 A HN 0.581 nan 8.150 nan 0.000 0.499 243 T N 1.823 116.450 114.554 0.122 0.000 2.905 243 T HA 0.432 4.782 4.350 -0.000 0.000 0.299 243 T C 0.232 174.924 174.700 -0.014 0.000 1.024 243 T CA 0.997 63.162 62.100 0.108 0.000 1.151 243 T CB 0.597 69.470 68.868 0.008 0.000 0.987 243 T HN 0.792 nan 8.240 nan 0.000 0.535 244 A N 2.337 125.143 122.820 -0.023 0.000 2.581 244 A HA 0.790 5.110 4.320 -0.000 0.000 0.290 244 A C 1.219 178.771 177.584 -0.053 0.000 1.119 244 A CA -0.289 51.699 52.037 -0.081 0.000 0.670 244 A CB 0.573 19.476 19.000 -0.161 0.000 1.280 244 A HN 0.759 nan 8.150 nan 0.000 0.425 245 G N -0.783 107.981 108.800 -0.061 0.000 2.511 245 G HA2 0.364 4.324 3.960 -0.000 0.000 0.217 245 G HA3 0.364 4.324 3.960 -0.000 0.000 0.217 245 G C 0.663 175.538 174.900 -0.041 0.000 1.133 245 G CA 1.732 46.806 45.100 -0.044 0.000 0.792 245 G HN 1.637 nan 8.290 nan 0.000 0.539 246 T N -4.178 110.343 114.554 -0.055 0.000 2.896 246 T HA 0.297 4.647 4.350 -0.000 0.000 0.297 246 T C 0.935 175.593 174.700 -0.071 0.000 1.108 246 T CA -0.258 61.810 62.100 -0.052 0.000 1.004 246 T CB 1.387 70.225 68.868 -0.050 0.000 1.159 246 T HN -0.075 nan 8.240 nan 0.000 0.499 247 C N 0.759 120.021 119.300 -0.063 0.000 2.413 247 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 247 C C 2.603 177.526 174.990 -0.112 0.000 1.265 247 C CA 0.929 59.897 59.018 -0.084 0.000 1.752 247 C CB -1.365 26.337 27.740 -0.063 0.000 1.998 247 C HN 1.012 nan 8.230 nan 0.000 0.489 248 E N 0.899 121.043 120.200 -0.094 0.000 2.077 248 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 248 E C 2.217 178.734 176.600 -0.139 0.000 0.989 248 E CA 0.941 57.281 56.400 -0.100 0.000 0.800 248 E CB -0.286 29.375 29.700 -0.066 0.000 0.746 248 E HN 0.545 nan 8.360 nan 0.000 0.452 249 E N 0.130 120.240 120.200 -0.149 0.000 2.072 249 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 249 E C 2.013 178.414 176.600 -0.332 0.000 0.985 249 E CA 0.681 56.946 56.400 -0.225 0.000 0.801 249 E CB -0.250 29.335 29.700 -0.192 0.000 0.750 249 E HN 0.329 nan 8.360 nan 0.000 0.452 250 M N -0.096 119.352 119.600 -0.254 0.000 2.080 250 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 250 M C 1.980 178.091 176.300 -0.314 0.000 1.068 250 M CA 1.415 56.559 55.300 -0.261 0.000 1.109 250 M CB -0.008 32.476 32.600 -0.193 0.000 1.342 250 M HN 0.028 nan 8.290 nan 0.000 0.405 251 M N 0.225 119.647 119.600 -0.298 0.000 2.117 251 M HA -0.192 4.288 4.480 -0.000 0.000 0.262 251 M C 1.963 178.057 176.300 -0.345 0.000 1.065 251 M CA 1.783 56.864 55.300 -0.364 0.000 1.114 251 M CB -1.282 31.144 32.600 -0.289 0.000 1.361 251 M HN 0.267 nan 8.290 nan 0.000 0.408 252 K N -0.185 120.046 120.400 -0.282 0.000 2.074 252 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 252 K C 2.135 178.545 176.600 -0.315 0.000 1.048 252 K CA 1.485 57.639 56.287 -0.222 0.000 0.926 252 K CB -0.089 32.312 32.500 -0.164 0.000 0.713 252 K HN 0.312 nan 8.250 nan 0.000 0.444 253 R N -0.070 120.053 120.500 -0.629 0.000 2.075 253 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 253 R C 2.374 178.643 176.300 -0.051 0.000 1.126 253 R CA 1.176 56.860 56.100 -0.693 0.000 0.963 253 R CB -0.314 29.465 30.300 -0.868 0.000 0.858 253 R HN 0.173 nan 8.270 nan 0.000 0.435 254 A N 1.218 123.951 122.820 -0.145 0.000 1.902 254 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 254 A C 1.394 179.000 177.584 0.037 0.000 1.181 254 A CA 0.858 52.851 52.037 -0.075 0.000 0.623 254 A CB -0.501 18.282 19.000 -0.361 0.000 0.818 254 A HN 0.053 nan 8.150 nan 0.000 0.443 258 K N 0.575 121.114 120.400 0.232 0.000 2.057 258 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 258 K C 1.240 177.938 176.600 0.163 0.000 1.049 258 K CA 1.805 58.210 56.287 0.196 0.000 0.931 258 K CB -0.111 32.531 32.500 0.237 0.000 0.714 258 K HN 0.423 nan 8.250 nan 0.000 0.440 259 E N 0.689 120.991 120.200 0.170 0.000 2.274 259 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 259 E C 1.934 178.619 176.600 0.141 0.000 0.996 259 E CA 0.620 57.103 56.400 0.138 0.000 0.840 259 E CB 0.051 29.827 29.700 0.125 0.000 0.772 259 E HN 0.413 nan 8.360 nan 0.000 0.491 260 L N -0.329 120.999 121.223 0.175 0.000 2.554 260 L HA 0.118 4.458 4.340 -0.000 0.000 0.226 260 L C 1.400 178.415 176.870 0.242 0.000 1.137 260 L CA 0.459 55.417 54.840 0.197 0.000 0.863 260 L CB -0.154 42.025 42.059 0.199 0.000 0.985 260 L HN 0.178 nan 8.230 nan 0.000 0.451 261 G N 0.805 109.723 108.800 0.197 0.000 2.153 261 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 261 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 261 G C 0.383 175.427 174.900 0.240 0.000 0.994 261 G CA 0.316 45.538 45.100 0.202 0.000 0.698 261 G HN 0.273 nan 8.290 nan 0.000 0.521 262 V N -2.274 117.748 119.914 0.180 0.000 2.834 262 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 262 V C 0.069 176.221 176.094 0.097 0.000 1.066 262 V CA -0.911 61.449 62.300 0.100 0.000 1.052 262 V CB 1.214 33.042 31.823 0.008 0.000 1.021 262 V HN 0.049 nan 8.190 nan 0.000 0.480 263 P HA 0.190 nan 4.420 nan 0.000 0.222 263 P C 0.180 177.513 177.300 0.056 0.000 1.153 263 P CA 0.944 64.097 63.100 0.088 0.000 0.798 263 P CB 0.513 32.295 31.700 0.138 0.000 0.796 264 I N -0.440 120.166 120.570 0.060 0.000 2.722 264 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 264 I C -1.061 175.061 176.117 0.009 0.000 1.267 264 I CA -1.567 59.734 61.300 0.002 0.000 1.036 264 I CB 2.299 40.273 38.000 -0.043 0.000 1.281 264 I HN -0.246 nan 8.210 nan 0.000 0.423 265 I N 4.507 125.063 120.570 -0.023 0.000 3.067 265 I HA 0.694 4.864 4.170 -0.000 0.000 0.312 265 I C -0.838 175.271 176.117 -0.012 0.000 1.073 265 I CA -0.950 60.352 61.300 0.003 0.000 1.016 265 I CB 2.146 40.172 38.000 0.043 0.000 1.227 265 I HN 0.686 nan 8.210 nan 0.000 0.456 266 M N 1.617 121.254 119.600 0.062 0.000 2.644 266 M HA 0.634 5.114 4.480 -0.000 0.000 0.304 266 M C -1.529 174.872 176.300 0.169 0.000 1.215 266 M CA -0.559 54.810 55.300 0.116 0.000 0.871 266 M CB 2.200 34.934 32.600 0.225 0.000 1.740 266 M HN 0.770 nan 8.290 nan 0.000 0.464 267 H N -0.043 119.048 119.070 0.035 0.000 2.856 267 H HA 0.428 4.984 4.556 -0.000 0.000 0.355 267 H C -1.925 173.438 175.328 0.057 0.000 1.079 267 H CA -0.532 55.529 56.048 0.021 0.000 1.240 267 H CB 1.639 31.397 29.762 -0.007 0.000 1.701 267 H HN 0.754 nan 8.280 nan 0.000 0.527 268 D N 5.271 125.424 120.400 -0.410 0.000 2.422 268 D HA -0.014 4.626 4.640 -0.000 0.000 0.227 268 D C 0.852 176.819 176.300 -0.555 0.000 1.190 268 D CA -0.146 53.667 54.000 -0.312 0.000 0.905 268 D CB -0.130 40.530 40.800 -0.233 0.000 1.034 268 D HN 0.634 nan 8.370 nan 0.000 0.507 269 Y N 1.129 121.141 120.300 -0.479 0.000 2.352 269 Y HA -0.060 4.490 4.550 -0.000 0.000 0.292 269 Y C 1.337 176.944 175.900 -0.488 0.000 1.136 269 Y CA 0.884 58.733 58.100 -0.418 0.000 1.227 269 Y CB -0.466 37.842 38.460 -0.253 0.000 0.991 269 Y HN 0.241 nan 8.280 nan 0.000 0.545 270 L N 0.372 121.072 121.223 -0.872 0.000 2.202 270 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 270 L C 2.599 179.208 176.870 -0.435 0.000 1.083 270 L CA 1.415 55.769 54.840 -0.809 0.000 0.790 270 L CB -0.653 40.956 42.059 -0.750 0.000 0.942 270 L HN 0.434 nan 8.230 nan 0.000 0.452 271 T N -3.692 110.665 114.554 -0.327 0.000 2.937 271 T HA 0.003 4.353 4.350 -0.000 0.000 0.260 271 T C 1.906 176.494 174.700 -0.187 0.000 1.051 271 T CA 0.789 62.761 62.100 -0.214 0.000 1.141 271 T CB -0.505 68.265 68.868 -0.164 0.000 0.879 271 T HN 0.294 nan 8.240 nan 0.000 0.459 272 G N 1.450 110.105 108.800 -0.242 0.000 2.394 272 G HA2 0.416 4.376 3.960 -0.000 0.000 0.215 272 G HA3 0.416 4.376 3.960 -0.000 0.000 0.215 272 G C 0.888 175.761 174.900 -0.045 0.000 1.165 272 G CA 0.261 45.298 45.100 -0.105 0.000 0.784 272 G HN 1.264 nan 8.290 nan 0.000 0.535 273 G N -2.000 106.713 108.800 -0.144 0.000 2.587 273 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 273 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 273 G C 0.128 174.981 174.900 -0.078 0.000 1.236 273 G CA -0.161 44.840 45.100 -0.164 0.000 0.820 273 G HN 0.082 nan 8.290 nan 0.000 0.645 274 F N 0.674 120.619 119.950 -0.010 0.000 2.171 274 F HA -0.014 4.513 4.527 0.000 0.000 0.300 274 F C 3.121 178.940 175.800 0.031 0.000 1.090 274 F CA 2.345 60.351 58.000 0.009 0.000 1.293 274 F CB -0.608 38.340 39.000 -0.086 0.000 1.013 274 F HN 0.566 nan 8.300 nan 0.000 0.486 275 T N -0.149 114.523 114.554 0.197 0.000 2.674 275 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 275 T C 2.321 177.064 174.700 0.073 0.000 1.039 275 T CA 1.526 63.697 62.100 0.117 0.000 1.150 275 T CB -0.763 68.154 68.868 0.081 0.000 0.864 275 T HN 0.278 nan 8.240 nan 0.000 0.427 276 A N 1.960 124.813 122.820 0.056 0.000 1.933 276 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 276 A C 2.265 179.805 177.584 -0.073 0.000 1.175 276 A CA 1.655 53.687 52.037 -0.010 0.000 0.628 276 A CB -0.817 18.188 19.000 0.007 0.000 0.814 276 A HN 0.554 nan 8.150 nan 0.000 0.444 277 N N -0.490 118.240 118.700 0.049 0.000 2.084 277 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 277 N C 1.629 177.154 175.510 0.025 0.000 1.030 277 N CA 2.073 55.148 53.050 0.042 0.000 0.849 277 N CB -0.177 38.472 38.487 0.270 0.000 1.012 277 N HN 0.435 nan 8.380 nan 0.000 0.423 278 T N 0.107 114.713 114.554 0.088 0.000 2.746 278 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 278 T C 2.141 176.857 174.700 0.028 0.000 1.039 278 T CA 1.198 63.343 62.100 0.076 0.000 1.142 278 T CB -0.338 68.597 68.868 0.112 0.000 0.866 278 T HN 0.194 nan 8.240 nan 0.000 0.444 279 S N 1.270 116.975 115.700 0.009 0.000 2.359 279 S HA -0.090 4.380 4.470 -0.000 0.000 0.223 279 S C 1.952 176.546 174.600 -0.010 0.000 1.039 279 S CA 1.031 59.227 58.200 -0.006 0.000 1.042 279 S CB -0.557 62.626 63.200 -0.029 0.000 0.915 279 S HN 0.289 nan 8.310 nan 0.000 0.439 280 L N 1.568 122.743 121.223 -0.080 0.000 2.083 280 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 280 L C 2.292 179.165 176.870 0.006 0.000 1.083 280 L CA 1.822 56.612 54.840 -0.083 0.000 0.752 280 L CB -0.915 40.983 42.059 -0.267 0.000 0.899 280 L HN 0.255 nan 8.230 nan 0.000 0.433 281 A N -0.318 122.491 122.820 -0.018 0.000 1.902 281 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 281 A C 2.252 179.827 177.584 -0.015 0.000 1.181 281 A CA 1.989 54.014 52.037 -0.019 0.000 0.623 281 A CB -0.842 18.141 19.000 -0.028 0.000 0.818 281 A HN 0.491 nan 8.150 nan 0.000 0.443 282 I N -1.983 118.590 120.570 0.004 0.000 2.208 282 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 282 I C 2.461 178.587 176.117 0.015 0.000 1.097 282 I CA 1.836 63.136 61.300 -0.001 0.000 1.363 282 I CB -0.410 37.597 38.000 0.012 0.000 1.051 282 I HN 0.550 nan 8.210 nan 0.000 0.413 283 Y N 0.841 121.113 120.300 -0.046 0.000 2.181 283 Y HA -0.312 4.238 4.550 -0.000 0.000 0.288 283 Y C 2.695 178.583 175.900 -0.019 0.000 1.146 283 Y CA 1.618 59.699 58.100 -0.032 0.000 1.164 283 Y CB -0.342 38.095 38.460 -0.038 0.000 0.982 283 Y HN 0.187 nan 8.280 nan 0.000 0.515 284 C N 0.111 119.458 119.300 0.078 0.000 2.446 284 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 284 C C 2.741 177.701 174.990 -0.051 0.000 1.275 284 C CA 1.348 60.391 59.018 0.041 0.000 1.727 284 C CB -1.159 26.628 27.740 0.078 0.000 2.010 284 C HN 0.581 nan 8.230 nan 0.000 0.486 285 R N 1.901 122.314 120.500 -0.145 0.000 2.096 285 R HA -0.127 4.213 4.340 -0.000 0.000 0.240 285 R C 1.474 177.690 176.300 -0.139 0.000 1.139 285 R CA 2.118 58.084 56.100 -0.222 0.000 0.952 285 R CB -0.941 29.246 30.300 -0.189 0.000 0.854 285 R HN 0.446 nan 8.270 nan 0.000 0.436 286 D N -0.483 119.820 120.400 -0.161 0.000 2.312 286 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 286 D C 0.400 176.579 176.300 -0.201 0.000 0.964 286 D CA 0.806 54.705 54.000 -0.168 0.000 0.877 286 D CB 0.041 40.738 40.800 -0.172 0.000 0.924 286 D HN 0.371 nan 8.370 nan 0.000 0.515 287 N N -0.834 117.717 118.700 -0.249 0.000 2.143 287 N HA 0.110 4.850 4.740 -0.000 0.000 0.222 287 N C 0.793 176.274 175.510 -0.048 0.000 1.264 287 N CA 0.342 53.263 53.050 -0.216 0.000 0.897 287 N CB 1.952 40.158 38.487 -0.468 0.000 1.092 287 N HN 0.048 nan 8.380 nan 0.000 0.516 288 G N 1.803 110.633 108.800 0.051 0.000 2.221 288 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 288 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 288 G C -0.209 174.749 174.900 0.096 0.000 1.041 288 G CA 0.084 45.279 45.100 0.158 0.000 0.807 288 G HN 0.230 nan 8.290 nan 0.000 0.502 289 L N -0.174 121.148 121.223 0.166 0.000 2.307 289 L HA 0.546 4.886 4.340 -0.000 0.000 0.282 289 L C 1.217 178.163 176.870 0.125 0.000 1.051 289 L CA -1.038 53.865 54.840 0.106 0.000 0.804 289 L CB 1.222 43.356 42.059 0.125 0.000 1.197 289 L HN 0.095 nan 8.230 nan 0.000 0.431 290 L N 3.592 124.799 121.223 -0.027 0.000 2.439 290 L HA 0.165 4.505 4.340 -0.000 0.000 0.269 290 L C -0.400 176.410 176.870 -0.100 0.000 1.179 290 L CA -0.165 54.636 54.840 -0.065 0.000 0.828 290 L CB 0.828 42.783 42.059 -0.174 0.000 1.106 290 L HN 0.383 nan 8.230 nan 0.000 0.467 291 L N 3.071 124.204 121.223 -0.150 0.000 2.342 291 L HA 0.335 4.675 4.340 -0.000 0.000 0.276 291 L C -0.562 176.112 176.870 -0.327 0.000 0.997 291 L CA -0.243 54.493 54.840 -0.172 0.000 0.838 291 L CB 1.048 43.057 42.059 -0.084 0.000 1.224 291 L HN 0.458 nan 8.230 nan 0.000 0.416 292 H N 5.381 124.148 119.070 -0.505 0.000 2.562 292 H HA 0.566 5.122 4.556 -0.000 0.000 0.314 292 H C -0.839 174.353 175.328 -0.227 0.000 1.079 292 H CA -0.509 55.190 56.048 -0.581 0.000 1.349 292 H CB 0.764 29.884 29.762 -1.071 0.000 1.432 292 H HN 0.491 nan 8.280 nan 0.000 0.479 293 I N 5.752 125.929 120.570 -0.654 0.000 2.339 293 I HA 0.119 4.289 4.170 -0.000 0.000 0.290 293 I C 0.189 176.071 176.117 -0.390 0.000 0.994 293 I CA -0.418 60.650 61.300 -0.388 0.000 1.191 293 I CB 0.803 38.570 38.000 -0.388 0.000 1.343 293 I HN 0.728 nan 8.210 nan 0.000 0.458 294 H N 7.449 126.399 119.070 -0.200 0.000 2.473 294 H HA 0.331 4.887 4.556 -0.000 0.000 0.327 294 H C 0.305 175.583 175.328 -0.083 0.000 1.105 294 H CA -0.406 55.499 56.048 -0.237 0.000 1.280 294 H CB 1.430 31.110 29.762 -0.137 0.000 1.450 294 H HN 0.581 nan 8.280 nan 0.000 0.492 295 R N 2.981 123.275 120.500 -0.344 0.000 2.586 295 R HA 0.426 4.766 4.340 -0.000 0.000 0.306 295 R C 0.190 176.511 176.300 0.035 0.000 1.079 295 R CA -0.466 55.631 56.100 -0.005 0.000 1.083 295 R CB 0.052 30.306 30.300 -0.076 0.000 1.306 295 R HN 0.375 nan 8.270 nan 0.000 0.567 296 A N 1.649 124.584 122.820 0.191 0.000 2.591 296 A HA 0.007 4.327 4.320 -0.000 0.000 0.244 296 A C 0.952 178.539 177.584 0.005 0.000 1.031 296 A CA 1.045 53.185 52.037 0.172 0.000 0.767 296 A CB -0.255 18.823 19.000 0.130 0.000 0.942 296 A HN 0.870 nan 8.150 nan 0.000 0.514 297 M N 0.389 119.980 119.600 -0.015 0.000 3.023 297 M HA -0.299 4.181 4.480 -0.000 0.000 0.214 297 M C 1.063 177.305 176.300 -0.096 0.000 0.575 297 M CA 1.854 57.105 55.300 -0.081 0.000 0.820 297 M CB -2.006 30.528 32.600 -0.109 0.000 2.925 297 M HN 1.274 nan 8.290 nan 0.000 0.297 298 H N -0.730 118.277 119.070 -0.105 0.000 2.352 298 H HA 0.175 4.731 4.556 -0.000 0.000 0.299 298 H C 1.708 177.007 175.328 -0.049 0.000 1.097 298 H CA 2.085 58.098 56.048 -0.058 0.000 1.311 298 H CB -0.542 29.221 29.762 0.002 0.000 1.377 298 H HN 0.494 nan 8.280 nan 0.000 0.504 299 A N 1.129 123.437 122.820 -0.852 0.000 2.119 299 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 299 A C 2.483 179.916 177.584 -0.252 0.000 1.153 299 A CA 0.948 52.630 52.037 -0.591 0.000 0.692 299 A CB -0.666 17.960 19.000 -0.623 0.000 0.799 299 A HN 0.358 nan 8.150 nan 0.000 0.458 300 V N -0.092 119.708 119.914 -0.189 0.000 2.392 300 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 300 V C 2.236 178.298 176.094 -0.053 0.000 1.059 300 V CA 2.232 64.473 62.300 -0.098 0.000 1.051 300 V CB -0.551 31.223 31.823 -0.082 0.000 0.658 300 V HN 0.624 nan 8.190 nan 0.000 0.455 301 I N 0.534 121.072 120.570 -0.053 0.000 2.731 301 I HA -0.019 4.151 4.170 -0.000 0.000 0.260 301 I C 1.749 177.870 176.117 0.006 0.000 1.138 301 I CA 1.139 62.432 61.300 -0.013 0.000 1.461 301 I CB -0.107 37.894 38.000 0.002 0.000 1.128 301 I HN 0.460 nan 8.210 nan 0.000 0.438 302 D N -0.360 120.034 120.400 -0.010 0.000 2.433 302 D HA -0.038 4.602 4.640 -0.000 0.000 0.211 302 D C 1.857 178.145 176.300 -0.021 0.000 1.114 302 D CA -0.009 53.995 54.000 0.008 0.000 0.837 302 D CB 0.022 40.871 40.800 0.082 0.000 0.984 302 D HN -0.052 nan 8.370 nan 0.000 0.505 303 R N 0.220 120.699 120.500 -0.035 0.000 2.075 303 R HA 0.061 4.401 4.340 -0.000 0.000 0.226 303 R C 0.410 176.726 176.300 0.027 0.000 1.114 303 R CA 1.062 57.146 56.100 -0.027 0.000 0.972 303 R CB -0.120 30.144 30.300 -0.059 0.000 0.869 303 R HN 0.032 nan 8.270 nan 0.000 0.437 304 Q N 0.563 120.394 119.800 0.052 0.000 2.261 304 Q HA 0.085 4.425 4.340 -0.000 0.000 0.252 304 Q C 0.295 176.363 176.000 0.113 0.000 0.915 304 Q CA 0.025 55.877 55.803 0.080 0.000 0.915 304 Q CB 1.404 30.197 28.738 0.092 0.000 1.204 304 Q HN 0.231 nan 8.270 nan 0.000 0.421 305 R N 2.398 122.965 120.500 0.111 0.000 2.120 305 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 305 R C 1.291 177.667 176.300 0.127 0.000 1.123 305 R CA 1.863 58.038 56.100 0.126 0.000 0.975 305 R CB 0.275 30.637 30.300 0.105 0.000 0.866 305 R HN 0.657 nan 8.270 nan 0.000 0.446 306 N N -1.189 117.590 118.700 0.131 0.000 2.392 306 N HA -0.099 4.641 4.740 -0.000 0.000 0.177 306 N C -0.363 175.276 175.510 0.216 0.000 1.066 306 N CA 0.707 53.843 53.050 0.143 0.000 0.895 306 N CB 0.105 38.664 38.487 0.121 0.000 0.988 306 N HN 0.277 nan 8.380 nan 0.000 0.457 307 H N -1.472 117.670 119.070 0.120 0.000 3.026 307 H HA 0.568 5.124 4.556 -0.000 0.000 0.352 307 H C 0.092 175.519 175.328 0.166 0.000 1.090 307 H CA 0.354 56.503 56.048 0.168 0.000 1.268 307 H CB 1.386 31.233 29.762 0.142 0.000 1.816 307 H HN 0.329 nan 8.280 nan 0.000 0.518 308 G N 2.630 111.373 108.800 -0.095 0.000 2.250 308 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.196 308 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.196 308 G C -1.522 173.369 174.900 -0.016 0.000 1.308 308 G CA -0.286 44.780 45.100 -0.057 0.000 1.207 308 G HN 0.648 nan 8.290 nan 0.000 0.505 309 I N 0.961 121.526 120.570 -0.008 0.000 2.512 309 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 309 I C 0.075 176.243 176.117 0.085 0.000 1.069 309 I CA -0.853 60.457 61.300 0.016 0.000 1.056 309 I CB 2.014 39.982 38.000 -0.053 0.000 1.229 309 I HN 0.688 nan 8.210 nan 0.000 0.429 310 H N 4.943 124.035 119.070 0.037 0.000 2.871 310 H HA -0.009 4.547 4.556 -0.000 0.000 0.355 310 H C 0.494 175.885 175.328 0.106 0.000 1.092 310 H CA 0.738 56.843 56.048 0.096 0.000 1.420 310 H CB 1.031 30.845 29.762 0.087 0.000 1.400 310 H HN 0.660 nan 8.280 nan 0.000 0.604 311 F N 5.425 125.172 119.950 -0.338 0.000 2.154 311 F HA -0.243 4.284 4.527 0.000 0.000 0.301 311 F C 2.657 178.375 175.800 -0.136 0.000 1.087 311 F CA 1.905 59.766 58.000 -0.231 0.000 1.274 311 F CB -0.140 38.601 39.000 -0.432 0.000 1.009 311 F HN 0.701 nan 8.300 nan 0.000 0.485 312 R N -0.126 120.405 120.500 0.051 0.000 2.139 312 R HA -0.153 4.187 4.340 -0.000 0.000 0.243 312 R C 1.797 178.060 176.300 -0.063 0.000 1.145 312 R CA 2.060 58.165 56.100 0.010 0.000 0.976 312 R CB -1.508 29.016 30.300 0.373 0.000 0.866 312 R HN 0.309 nan 8.270 nan 0.000 0.449 313 V N 1.817 121.732 119.914 0.002 0.000 2.379 313 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 313 V C 2.482 178.606 176.094 0.050 0.000 1.044 313 V CA 1.533 63.845 62.300 0.020 0.000 1.036 313 V CB -0.380 31.443 31.823 -0.001 0.000 0.664 313 V HN 0.286 nan 8.190 nan 0.000 0.453 314 L N 0.131 121.334 121.223 -0.033 0.000 2.141 314 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 314 L C 2.713 179.492 176.870 -0.152 0.000 1.094 314 L CA 1.404 56.277 54.840 0.054 0.000 0.763 314 L CB -0.825 41.262 42.059 0.047 0.000 0.908 314 L HN 0.353 nan 8.230 nan 0.000 0.437 315 A N 0.258 122.688 122.820 -0.651 0.000 1.873 315 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 315 A C 2.366 179.829 177.584 -0.202 0.000 1.186 315 A CA 1.466 53.167 52.037 -0.560 0.000 0.616 315 A CB -0.302 18.243 19.000 -0.759 0.000 0.823 315 A HN 0.272 nan 8.150 nan 0.000 0.442 316 K N -0.320 120.051 120.400 -0.048 0.000 2.032 316 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 316 K C 2.340 178.987 176.600 0.078 0.000 1.048 316 K CA 1.208 57.596 56.287 0.168 0.000 0.927 316 K CB -0.370 32.280 32.500 0.250 0.000 0.712 316 K HN 0.438 nan 8.250 nan 0.000 0.441 317 A N 1.973 124.822 122.820 0.049 0.000 1.908 317 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 317 A C 2.069 179.634 177.584 -0.030 0.000 1.181 317 A CA 1.139 53.147 52.037 -0.048 0.000 0.627 317 A CB -0.604 18.370 19.000 -0.044 0.000 0.818 317 A HN 0.260 nan 8.150 nan 0.000 0.445 318 L N -0.393 120.850 121.223 0.032 0.000 2.046 318 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 318 L C 2.501 179.241 176.870 -0.217 0.000 1.077 318 L CA 2.398 57.142 54.840 -0.160 0.000 0.747 318 L CB -0.890 40.825 42.059 -0.573 0.000 0.896 318 L HN 0.539 nan 8.230 nan 0.000 0.432 319 R N -0.534 119.815 120.500 -0.252 0.000 2.103 319 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 319 R C 2.343 178.476 176.300 -0.279 0.000 1.142 319 R CA 2.190 58.088 56.100 -0.337 0.000 0.960 319 R CB -0.151 29.787 30.300 -0.604 0.000 0.858 319 R HN 0.384 nan 8.270 nan 0.000 0.439 320 M N -1.132 118.304 119.600 -0.272 0.000 2.156 320 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 320 M C 2.502 178.649 176.300 -0.256 0.000 1.067 320 M CA 1.656 56.684 55.300 -0.453 0.000 1.131 320 M CB -0.171 31.872 32.600 -0.929 0.000 1.368 320 M HN 0.140 nan 8.290 nan 0.000 0.416 321 S N -0.336 115.282 115.700 -0.138 0.000 2.368 321 S HA 0.105 4.575 4.470 -0.000 0.000 0.224 321 S C 0.822 175.439 174.600 0.029 0.000 1.029 321 S CA 1.186 59.417 58.200 0.051 0.000 0.988 321 S CB -0.275 63.045 63.200 0.200 0.000 0.838 321 S HN 0.652 nan 8.310 nan 0.000 0.462 322 G N -1.473 107.295 108.800 -0.054 0.000 3.088 322 G HA2 0.418 4.378 3.960 -0.000 0.000 0.620 322 G HA3 0.418 4.378 3.960 -0.000 0.000 0.620 322 G C -0.346 174.482 174.900 -0.120 0.000 1.375 322 G CA -0.462 44.589 45.100 -0.081 0.000 1.016 322 G HN 0.986 nan 8.290 nan 0.000 0.590 323 G N 0.676 109.384 108.800 -0.155 0.000 2.716 323 G HA2 0.585 4.545 3.960 -0.000 0.000 0.299 323 G HA3 0.585 4.545 3.960 -0.000 0.000 0.299 323 G C -0.115 174.694 174.900 -0.152 0.000 1.450 323 G CA 0.144 45.138 45.100 -0.177 0.000 0.968 323 G HN 0.340 nan 8.290 nan 0.000 0.566 324 D N -0.090 120.225 120.400 -0.142 0.000 2.249 324 D HA 0.071 4.711 4.640 -0.000 0.000 0.205 324 D C 0.410 176.748 176.300 0.063 0.000 0.962 324 D CA 1.117 55.077 54.000 -0.066 0.000 0.860 324 D CB 0.311 41.061 40.800 -0.084 0.000 0.955 324 D HN 0.597 nan 8.370 nan 0.000 0.505 325 H N -0.883 118.048 119.070 -0.231 0.000 2.690 325 H HA 0.557 5.113 4.556 -0.000 0.000 0.368 325 H C -1.142 173.979 175.328 -0.346 0.000 1.150 325 H CA -1.068 54.823 56.048 -0.261 0.000 1.174 325 H CB 2.718 32.320 29.762 -0.267 0.000 1.684 325 H HN -0.136 nan 8.280 nan 0.000 0.538 326 L N 1.876 123.024 121.223 -0.126 0.000 2.493 326 L HA 0.226 4.566 4.340 -0.000 0.000 0.265 326 L C -0.870 175.985 176.870 -0.024 0.000 0.954 326 L CA -0.376 54.385 54.840 -0.131 0.000 0.844 326 L CB 1.622 43.599 42.059 -0.136 0.000 1.302 326 L HN 0.717 nan 8.230 nan 0.000 0.405 327 H N 2.642 121.595 119.070 -0.195 0.000 2.928 327 H HA 0.167 4.723 4.556 -0.000 0.000 0.338 327 H C 0.294 175.529 175.328 -0.156 0.000 1.047 327 H CA 0.751 56.684 56.048 -0.192 0.000 1.435 327 H CB 1.010 30.586 29.762 -0.311 0.000 1.428 327 H HN 0.792 nan 8.280 nan 0.000 0.590 328 S N 1.779 117.488 115.700 0.015 0.000 2.549 328 S HA 0.318 4.788 4.470 -0.000 0.000 0.225 328 S C 0.992 175.721 174.600 0.214 0.000 1.039 328 S CA 0.112 58.453 58.200 0.235 0.000 0.942 328 S CB 1.277 64.728 63.200 0.417 0.000 0.881 328 S HN 1.073 nan 8.310 nan 0.000 0.503 329 G N 0.908 109.736 108.800 0.047 0.000 2.612 329 G HA2 0.039 3.999 3.960 -0.000 0.000 0.686 329 G HA3 0.039 3.999 3.960 -0.000 0.000 0.686 329 G C 0.177 175.157 174.900 0.135 0.000 1.274 329 G CA 0.173 45.311 45.100 0.064 0.000 0.849 329 G HN 0.922 nan 8.290 nan 0.000 0.595 330 T N -2.925 111.670 114.554 0.068 0.000 2.958 330 T HA 0.647 4.997 4.350 -0.000 0.000 0.256 330 T C 2.079 176.814 174.700 0.059 0.000 0.983 330 T CA 1.889 64.032 62.100 0.071 0.000 0.924 330 T CB 0.414 69.220 68.868 -0.103 0.000 1.136 330 T HN 2.766 nan 8.240 nan 0.000 0.506 331 A N 1.265 124.099 122.820 0.023 0.000 2.070 331 A HA -0.283 4.037 4.320 -0.000 0.000 0.231 331 A C 1.795 179.371 177.584 -0.014 0.000 0.501 331 A CA 2.491 54.528 52.037 0.001 0.000 1.119 331 A CB -2.313 16.675 19.000 -0.020 0.000 1.430 331 A HN 1.473 nan 8.150 nan 0.000 0.706 332 V N -1.938 117.928 119.914 -0.080 0.000 3.660 332 V HA 0.610 4.730 4.120 -0.000 0.000 0.276 332 V C 1.438 177.416 176.094 -0.193 0.000 1.317 332 V CA 1.032 63.251 62.300 -0.135 0.000 1.097 332 V CB -0.680 30.994 31.823 -0.247 0.000 0.863 332 V HN 1.604 nan 8.190 nan 0.000 0.438 333 G N 1.399 110.062 108.800 -0.227 0.000 2.531 333 G HA2 0.271 4.231 3.960 -0.000 0.000 0.253 333 G HA3 0.271 4.231 3.960 -0.000 0.000 0.253 333 G C 0.751 175.376 174.900 -0.458 0.000 1.439 333 G CA 0.069 44.975 45.100 -0.322 0.000 1.056 333 G HN 0.480 nan 8.290 nan 0.000 0.555 334 K N -1.217 118.690 120.400 -0.822 0.000 2.432 334 K HA 0.167 4.487 4.320 -0.000 0.000 0.196 334 K C 0.131 176.533 176.600 -0.329 0.000 1.038 334 K CA 0.305 56.081 56.287 -0.853 0.000 0.986 334 K CB -0.190 31.778 32.500 -0.887 0.000 0.782 334 K HN 0.174 nan 8.250 nan 0.000 0.485 335 L N 1.828 122.915 121.223 -0.228 0.000 2.334 335 L HA 0.308 4.648 4.340 -0.000 0.000 0.273 335 L C -0.160 176.671 176.870 -0.066 0.000 1.013 335 L CA -0.901 53.862 54.840 -0.129 0.000 0.816 335 L CB 1.875 43.874 42.059 -0.100 0.000 1.278 335 L HN 0.092 nan 8.230 nan 0.000 0.431 336 E N 1.073 121.250 120.200 -0.040 0.000 2.360 336 E HA 0.506 4.856 4.350 -0.000 0.000 0.269 336 E C -0.382 176.239 176.600 0.035 0.000 1.022 336 E CA -0.061 56.343 56.400 0.007 0.000 0.887 336 E CB 0.784 30.487 29.700 0.005 0.000 0.990 336 E HN 0.755 nan 8.360 nan 0.000 0.426 337 G N 3.861 112.698 108.800 0.061 0.000 1.959 337 G HA2 0.003 3.963 3.960 -0.000 0.000 0.289 337 G HA3 0.003 3.963 3.960 -0.000 0.000 0.289 337 G C -1.127 173.816 174.900 0.071 0.000 1.705 337 G CA -0.814 44.346 45.100 0.100 0.000 0.913 337 G HN 0.507 nan 8.290 nan 0.000 0.686 338 E N 1.364 121.608 120.200 0.073 0.000 2.373 338 E HA 0.144 4.494 4.350 -0.000 0.000 0.267 338 E C 1.404 177.989 176.600 -0.025 0.000 1.032 338 E CA -0.591 55.829 56.400 0.033 0.000 0.889 338 E CB 1.804 31.531 29.700 0.046 0.000 0.984 338 E HN 0.577 nan 8.360 nan 0.000 0.425 339 R N 2.291 122.763 120.500 -0.048 0.000 2.113 339 R HA -0.232 4.108 4.340 -0.000 0.000 0.244 339 R C 1.465 177.679 176.300 -0.143 0.000 1.142 339 R CA 1.703 57.737 56.100 -0.109 0.000 0.953 339 R CB 0.118 30.365 30.300 -0.088 0.000 0.860 339 R HN 0.508 nan 8.270 nan 0.000 0.438 340 E N -0.115 120.028 120.200 -0.094 0.000 2.150 340 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 340 E C 2.084 178.614 176.600 -0.116 0.000 0.985 340 E CA 1.066 57.409 56.400 -0.095 0.000 0.814 340 E CB -0.052 29.617 29.700 -0.053 0.000 0.752 340 E HN 0.248 nan 8.360 nan 0.000 0.466 341 V N 1.516 121.378 119.914 -0.086 0.000 2.307 341 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 341 V C 2.433 178.274 176.094 -0.423 0.000 1.045 341 V CA 1.296 63.556 62.300 -0.066 0.000 1.024 341 V CB -0.434 31.472 31.823 0.138 0.000 0.651 341 V HN 0.177 nan 8.190 nan 0.000 0.449 342 I N -0.333 119.924 120.570 -0.522 0.000 2.163 342 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 342 I C 2.379 178.044 176.117 -0.753 0.000 1.085 342 I CA 1.669 62.411 61.300 -0.931 0.000 1.347 342 I CB -0.355 37.430 38.000 -0.359 0.000 1.044 342 I HN 0.250 nan 8.210 nan 0.000 0.408 343 L N 0.404 121.370 121.223 -0.429 0.000 2.079 343 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 343 L C 2.646 179.396 176.870 -0.200 0.000 1.081 343 L CA 1.561 56.230 54.840 -0.285 0.000 0.752 343 L CB -1.181 40.751 42.059 -0.211 0.000 0.896 343 L HN 0.357 nan 8.230 nan 0.000 0.433 344 G N 0.984 109.658 108.800 -0.210 0.000 2.480 344 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 344 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 344 G C 1.260 176.182 174.900 0.037 0.000 1.200 344 G CA 1.083 46.141 45.100 -0.070 0.000 0.782 344 G HN 0.483 nan 8.290 nan 0.000 0.554 345 F N 0.577 120.609 119.950 0.136 0.000 2.558 345 F HA 0.275 4.802 4.527 -0.000 0.000 0.298 345 F C 2.183 178.064 175.800 0.135 0.000 1.119 345 F CA -0.162 57.931 58.000 0.155 0.000 1.451 345 F CB -0.921 38.203 39.000 0.207 0.000 1.091 345 F HN -0.004 nan 8.300 nan 0.000 0.563 346 V N 1.437 121.480 119.914 0.214 0.000 2.343 346 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 346 V C 2.128 178.303 176.094 0.135 0.000 1.051 346 V CA 2.395 64.815 62.300 0.200 0.000 1.036 346 V CB -0.705 31.184 31.823 0.110 0.000 0.654 346 V HN 0.231 nan 8.190 nan 0.000 0.451 347 D N 0.033 120.491 120.400 0.097 0.000 2.117 347 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 347 D C 2.096 178.488 176.300 0.153 0.000 0.987 347 D CA 1.190 55.252 54.000 0.104 0.000 0.829 347 D CB -0.323 40.528 40.800 0.085 0.000 0.961 347 D HN 0.338 nan 8.370 nan 0.000 0.460 348 L N -0.246 121.104 121.223 0.211 0.000 2.131 348 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 348 L C 2.403 179.358 176.870 0.142 0.000 1.092 348 L CA 0.825 55.852 54.840 0.312 0.000 0.759 348 L CB -0.266 42.002 42.059 0.349 0.000 0.903 348 L HN 0.066 nan 8.230 nan 0.000 0.435 349 M N -1.491 118.146 119.600 0.062 0.000 2.287 349 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 349 M C 2.252 178.450 176.300 -0.170 0.000 1.079 349 M CA 1.449 56.691 55.300 -0.097 0.000 1.146 349 M CB -0.048 32.566 32.600 0.023 0.000 1.374 349 M HN 0.096 nan 8.290 nan 0.000 0.435 350 R N -0.416 120.050 120.500 -0.057 0.000 2.146 350 R HA 0.100 4.440 4.340 -0.000 0.000 0.206 350 R C -0.009 176.270 176.300 -0.036 0.000 1.049 350 R CA 0.323 56.398 56.100 -0.042 0.000 1.029 350 R CB 0.237 30.554 30.300 0.028 0.000 0.949 350 R HN 0.241 nan 8.270 nan 0.000 0.471 351 D N 0.118 120.529 120.400 0.018 0.000 2.348 351 D HA 0.008 4.648 4.640 -0.000 0.000 0.249 351 D C 0.281 176.676 176.300 0.158 0.000 1.110 351 D CA -0.043 54.014 54.000 0.095 0.000 0.967 351 D CB 1.149 42.036 40.800 0.145 0.000 1.139 351 D HN -0.108 nan 8.370 nan 0.000 0.466 352 D N -1.228 119.301 120.400 0.216 0.000 2.240 352 D HA -0.059 4.581 4.640 -0.000 0.000 0.206 352 D C -0.685 175.877 176.300 0.438 0.000 0.963 352 D CA 0.545 54.727 54.000 0.304 0.000 0.863 352 D CB 0.295 41.225 40.800 0.218 0.000 0.973 352 D HN 0.316 nan 8.370 nan 0.000 0.501 353 Y N -0.278 120.148 120.300 0.210 0.000 2.401 353 Y HA 0.444 4.994 4.550 -0.000 0.000 0.330 353 Y C -1.741 174.239 175.900 0.134 0.000 1.071 353 Y CA -0.949 57.240 58.100 0.148 0.000 1.049 353 Y CB 1.625 40.138 38.460 0.090 0.000 1.239 353 Y HN -0.327 nan 8.280 nan 0.000 0.437 354 V N 5.977 125.811 119.914 -0.133 0.000 2.447 354 V HA 0.319 4.439 4.120 -0.000 0.000 0.292 354 V C -0.508 175.495 176.094 -0.152 0.000 1.021 354 V CA -1.008 61.278 62.300 -0.025 0.000 0.850 354 V CB 1.448 33.314 31.823 0.072 0.000 1.005 354 V HN 0.697 nan 8.190 nan 0.000 0.426 355 E N 2.856 123.043 120.200 -0.022 0.000 2.383 355 E HA 0.141 4.491 4.350 -0.000 0.000 0.264 355 E C 0.093 176.689 176.600 -0.006 0.000 1.050 355 E CA -0.489 55.907 56.400 -0.007 0.000 0.896 355 E CB 1.238 30.991 29.700 0.088 0.000 0.982 355 E HN 0.556 nan 8.360 nan 0.000 0.424 356 K N 2.106 122.502 120.400 -0.006 0.000 2.543 356 K HA -0.161 4.159 4.320 -0.000 0.000 0.279 356 K C -0.587 175.999 176.600 -0.025 0.000 1.001 356 K CA 0.774 57.055 56.287 -0.011 0.000 1.088 356 K CB 0.269 32.762 32.500 -0.011 0.000 0.863 356 K HN 0.343 nan 8.250 nan 0.000 0.488 357 D N 4.091 124.463 120.400 -0.047 0.000 2.445 357 D HA 0.144 4.784 4.640 -0.000 0.000 0.236 357 D C 0.304 176.541 176.300 -0.105 0.000 1.315 357 D CA -0.473 53.492 54.000 -0.058 0.000 0.924 357 D CB 0.522 41.305 40.800 -0.028 0.000 1.447 357 D HN 0.486 nan 8.370 nan 0.000 0.532 358 R N 0.643 121.044 120.500 -0.164 0.000 2.193 358 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 358 R C 1.773 177.968 176.300 -0.176 0.000 1.110 358 R CA 1.162 57.105 56.100 -0.261 0.000 0.988 358 R CB -0.529 29.586 30.300 -0.308 0.000 0.871 358 R HN 0.490 nan 8.270 nan 0.000 0.458 359 S N -0.003 115.632 115.700 -0.109 0.000 2.507 359 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 359 S C 1.487 176.051 174.600 -0.059 0.000 0.988 359 S CA 0.563 58.719 58.200 -0.074 0.000 0.944 359 S CB 0.040 63.208 63.200 -0.054 0.000 0.762 359 S HN 0.264 nan 8.310 nan 0.000 0.526 360 R N -0.050 120.414 120.500 -0.061 0.000 2.543 360 R HA 0.318 4.658 4.340 -0.000 0.000 0.323 360 R C 1.110 177.394 176.300 -0.025 0.000 1.002 360 R CA 0.303 56.378 56.100 -0.043 0.000 1.106 360 R CB 0.515 30.790 30.300 -0.042 0.000 1.280 360 R HN 0.495 nan 8.270 nan 0.000 0.549 361 G N 1.759 110.527 108.800 -0.054 0.000 2.143 361 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 361 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 361 G C 0.129 175.083 174.900 0.090 0.000 0.991 361 G CA -0.119 44.975 45.100 -0.010 0.000 0.689 361 G HN 0.272 nan 8.290 nan 0.000 0.522 362 I N 0.980 121.558 120.570 0.014 0.000 2.294 362 I HA 0.296 4.466 4.170 -0.000 0.000 0.295 362 I C 1.307 177.425 176.117 0.001 0.000 1.098 362 I CA -0.841 60.502 61.300 0.071 0.000 1.277 362 I CB 0.329 38.358 38.000 0.048 0.000 1.434 362 I HN 0.079 nan 8.210 nan 0.000 0.498 363 Y N 5.173 125.361 120.300 -0.186 0.000 2.475 363 Y HA 0.142 4.692 4.550 -0.000 0.000 0.289 363 Y C 0.297 175.862 175.900 -0.558 0.000 1.121 363 Y CA 0.445 58.303 58.100 -0.403 0.000 1.257 363 Y CB -0.084 38.011 38.460 -0.609 0.000 1.026 363 Y HN 0.293 nan 8.280 nan 0.000 0.555 364 F N -1.518 118.530 119.950 0.163 0.000 2.565 364 F HA 0.375 4.902 4.527 -0.000 0.000 0.313 364 F C 0.295 176.078 175.800 -0.029 0.000 1.091 364 F CA -1.803 56.235 58.000 0.064 0.000 0.915 364 F CB 1.028 40.055 39.000 0.045 0.000 1.208 364 F HN -0.481 nan 8.300 nan 0.000 0.453 365 T N 1.986 116.612 114.554 0.121 0.000 2.888 365 T HA 0.195 4.545 4.350 -0.000 0.000 0.301 365 T C -0.351 174.242 174.700 -0.178 0.000 1.001 365 T CA 0.078 62.130 62.100 -0.079 0.000 1.147 365 T CB 0.466 69.270 68.868 -0.107 0.000 0.931 365 T HN 0.439 nan 8.240 nan 0.000 0.541 366 Q N 2.671 122.275 119.800 -0.327 0.000 2.333 366 Q HA 0.334 4.674 4.340 -0.000 0.000 0.268 366 Q C -1.441 174.210 176.000 -0.582 0.000 1.007 366 Q CA -0.662 54.883 55.803 -0.430 0.000 0.810 366 Q CB 1.253 29.769 28.738 -0.370 0.000 1.264 366 Q HN 0.475 nan 8.270 nan 0.000 0.452 367 D N 3.999 124.101 120.400 -0.496 0.000 2.392 367 D HA 0.258 4.898 4.640 -0.000 0.000 0.228 367 D C -1.098 175.060 176.300 -0.238 0.000 1.074 367 D CA -0.219 53.651 54.000 -0.216 0.000 0.838 367 D CB 0.391 41.205 40.800 0.023 0.000 1.067 367 D HN 0.472 nan 8.370 nan 0.000 0.511 371 M N 4.090 123.767 119.600 0.128 0.000 2.260 371 M HA 0.157 4.637 4.480 -0.000 0.000 0.348 371 M C -2.494 173.789 176.300 -0.028 0.000 1.342 371 M CA -0.753 54.583 55.300 0.060 0.000 1.040 371 M CB 0.296 32.957 32.600 0.102 0.000 1.810 371 M HN -0.114 nan 8.290 nan 0.000 0.453 372 P HA 0.141 nan 4.420 nan 0.000 0.269 372 P C -0.446 176.763 177.300 -0.152 0.000 1.217 372 P CA -0.214 62.846 63.100 -0.067 0.000 0.783 372 P CB 0.271 31.944 31.700 -0.045 0.000 0.898 373 G N 0.293 109.021 108.800 -0.120 0.000 2.507 373 G HA2 0.450 4.410 3.960 -0.000 0.000 0.271 373 G HA3 0.450 4.410 3.960 -0.000 0.000 0.271 373 G C -0.837 173.988 174.900 -0.125 0.000 1.189 373 G CA -0.438 44.567 45.100 -0.160 0.000 0.859 373 G HN 0.353 nan 8.290 nan 0.000 0.542 374 V N 2.439 122.262 119.914 -0.151 0.000 2.427 374 V HA 0.273 4.393 4.120 -0.000 0.000 0.286 374 V C 0.392 176.454 176.094 -0.053 0.000 1.034 374 V CA -0.729 61.507 62.300 -0.107 0.000 0.893 374 V CB 1.474 33.200 31.823 -0.162 0.000 0.982 374 V HN 0.798 nan 8.190 nan 0.000 0.452 375 M N 9.792 129.379 119.600 -0.023 0.000 2.307 375 M HA 0.283 4.763 4.480 -0.000 0.000 0.346 375 M C -2.282 173.955 176.300 -0.106 0.000 1.552 375 M CA -1.341 53.918 55.300 -0.068 0.000 1.116 375 M CB 0.537 33.051 32.600 -0.143 0.000 1.889 375 M HN 0.359 nan 8.290 nan 0.000 0.460 376 P HA 0.132 nan 4.420 nan 0.000 0.275 376 P C -1.263 175.887 177.300 -0.249 0.000 1.227 376 P CA -0.265 62.799 63.100 -0.060 0.000 0.781 376 P CB 0.730 32.498 31.700 0.112 0.000 0.906 377 V N 2.657 122.395 119.914 -0.293 0.000 2.378 377 V HA 0.505 4.625 4.120 -0.000 0.000 0.288 377 V C 0.386 176.175 176.094 -0.508 0.000 1.016 377 V CA -0.811 61.224 62.300 -0.442 0.000 0.840 377 V CB 1.267 32.795 31.823 -0.491 0.000 0.994 377 V HN 0.698 nan 8.190 nan 0.000 0.431 378 A N 3.869 126.328 122.820 -0.601 0.000 2.260 378 A HA 0.841 5.161 4.320 -0.000 0.000 0.308 378 A C 0.024 177.342 177.584 -0.444 0.000 1.254 378 A CA -0.236 51.481 52.037 -0.533 0.000 0.874 378 A CB 1.057 19.613 19.000 -0.740 0.000 1.153 378 A HN 0.867 nan 8.150 nan 0.000 0.527 379 S N 1.442 116.945 115.700 -0.328 0.000 2.535 379 S HA 0.713 5.183 4.470 -0.000 0.000 0.272 379 S C -0.566 173.921 174.600 -0.189 0.000 1.149 379 S CA 0.441 58.473 58.200 -0.279 0.000 0.888 379 S CB 1.219 64.306 63.200 -0.188 0.000 1.110 379 S HN 2.630 nan 8.310 nan 0.000 0.463 380 G N 1.724 110.397 108.800 -0.211 0.000 3.152 380 G HA2 0.448 4.408 3.960 -0.000 0.000 0.666 380 G HA3 0.448 4.408 3.960 -0.000 0.000 0.666 380 G C 0.877 175.613 174.900 -0.273 0.000 1.205 380 G CA 0.381 45.370 45.100 -0.185 0.000 1.178 380 G HN 2.173 nan 8.290 nan 0.000 0.510 381 G N 0.308 108.962 108.800 -0.244 0.000 2.160 381 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.251 381 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.251 381 G C 0.623 175.494 174.900 -0.047 0.000 1.008 381 G CA 0.999 45.936 45.100 -0.271 0.000 0.724 381 G HN 2.294 nan 8.290 nan 0.000 0.514 382 I N -1.978 118.547 120.570 -0.074 0.000 2.577 382 I HA 0.945 5.115 4.170 -0.000 0.000 0.305 382 I C 0.263 176.562 176.117 0.303 0.000 0.986 382 I CA -1.311 60.050 61.300 0.103 0.000 1.189 382 I CB 1.523 39.414 38.000 -0.182 0.000 1.355 382 I HN 0.332 nan 8.210 nan 0.000 0.476 383 H N 1.491 120.867 119.070 0.511 0.000 2.959 383 H HA 0.473 5.029 4.556 -0.000 0.000 0.296 383 H C 0.681 176.097 175.328 0.146 0.000 1.421 383 H CA -0.420 55.725 56.048 0.162 0.000 1.206 383 H CB 0.518 30.109 29.762 -0.284 0.000 1.891 383 H HN 0.339 nan 8.280 nan 0.000 0.573 384 V N -2.885 117.125 119.914 0.160 0.000 2.380 384 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 384 V C 1.306 177.354 176.094 -0.078 0.000 1.063 384 V CA 1.820 64.063 62.300 -0.095 0.000 1.055 384 V CB -1.233 30.448 31.823 -0.238 0.000 0.657 384 V HN 0.778 nan 8.190 nan 0.000 0.455 385 W N -0.444 120.949 121.300 0.155 0.000 2.595 385 W HA 0.068 4.728 4.660 -0.000 0.000 0.257 385 W C 2.566 179.064 176.519 -0.036 0.000 1.267 385 W CA 0.902 58.273 57.345 0.043 0.000 1.300 385 W CB -0.391 29.126 29.460 0.095 0.000 1.120 385 W HN 0.338 nan 8.180 nan 0.000 0.618 386 H N -0.817 118.357 119.070 0.174 0.000 2.548 386 H HA 0.001 4.557 4.556 -0.000 0.000 0.268 386 H C 1.898 177.313 175.328 0.145 0.000 0.975 386 H CA 0.952 57.063 56.048 0.105 0.000 1.195 386 H CB -0.420 29.346 29.762 0.007 0.000 1.397 386 H HN 0.163 nan 8.280 nan 0.000 0.572 387 M N 1.479 121.224 119.600 0.241 0.000 2.082 387 M HA -0.084 4.396 4.480 -0.000 0.000 0.258 387 M C -0.951 175.445 176.300 0.160 0.000 1.069 387 M CA 1.640 57.052 55.300 0.186 0.000 1.102 387 M CB -0.949 31.687 32.600 0.060 0.000 1.336 387 M HN 0.058 nan 8.290 nan 0.000 0.404 388 P HA -0.107 nan 4.420 nan 0.000 0.215 388 P C 1.192 178.569 177.300 0.129 0.000 1.157 388 P CA 2.343 65.518 63.100 0.124 0.000 0.868 388 P CB -0.407 31.369 31.700 0.126 0.000 0.788 389 A N -0.769 122.141 122.820 0.149 0.000 1.940 389 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 389 A C 2.256 179.922 177.584 0.136 0.000 1.176 389 A CA 1.561 53.674 52.037 0.126 0.000 0.631 389 A CB -1.692 17.390 19.000 0.137 0.000 0.814 389 A HN 0.115 nan 8.150 nan 0.000 0.446 390 L N -0.692 120.648 121.223 0.196 0.000 2.027 390 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 390 L C 2.507 179.560 176.870 0.307 0.000 1.074 390 L CA 1.088 56.102 54.840 0.290 0.000 0.745 390 L CB -0.591 41.623 42.059 0.258 0.000 0.898 390 L HN 0.238 nan 8.230 nan 0.000 0.433 391 V N -0.289 119.747 119.914 0.203 0.000 2.490 391 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 391 V C 2.466 178.635 176.094 0.124 0.000 1.061 391 V CA 1.811 64.208 62.300 0.161 0.000 1.064 391 V CB -0.517 31.377 31.823 0.117 0.000 0.670 391 V HN 0.488 nan 8.190 nan 0.000 0.461 392 E N -0.084 120.172 120.200 0.094 0.000 2.107 392 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 392 E C 2.216 178.810 176.600 -0.009 0.000 0.982 392 E CA 1.176 57.603 56.400 0.044 0.000 0.809 392 E CB -0.015 29.707 29.700 0.036 0.000 0.756 392 E HN 0.609 nan 8.360 nan 0.000 0.459 393 I N -0.202 120.337 120.570 -0.052 0.000 2.193 393 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 393 I C 1.828 177.729 176.117 -0.360 0.000 1.084 393 I CA 1.068 62.201 61.300 -0.279 0.000 1.365 393 I CB -0.135 37.571 38.000 -0.491 0.000 1.064 393 I HN 0.069 nan 8.210 nan 0.000 0.410 394 F N 0.390 120.342 119.950 0.003 0.000 2.446 394 F HA 0.299 4.826 4.527 -0.000 0.000 0.292 394 F C 1.659 177.466 175.800 0.012 0.000 1.096 394 F CA 0.699 58.700 58.000 0.002 0.000 1.438 394 F CB -0.733 38.265 39.000 -0.003 0.000 1.107 394 F HN 0.160 nan 8.300 nan 0.000 0.546 395 G N 0.702 109.607 108.800 0.174 0.000 2.645 395 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.239 395 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.239 395 G C 0.196 175.175 174.900 0.132 0.000 1.331 395 G CA 0.093 45.267 45.100 0.122 0.000 0.890 395 G HN 0.157 nan 8.290 nan 0.000 0.572 396 D N 0.504 120.963 120.400 0.098 0.000 2.224 396 D HA 0.053 4.693 4.640 -0.000 0.000 0.205 396 D C 0.928 177.271 176.300 0.073 0.000 0.965 396 D CA 1.271 55.321 54.000 0.083 0.000 0.852 396 D CB -0.104 40.742 40.800 0.078 0.000 0.947 396 D HN 0.375 nan 8.370 nan 0.000 0.494 397 D N 0.756 121.205 120.400 0.082 0.000 2.713 397 D HA 0.463 5.103 4.640 -0.000 0.000 0.229 397 D C -0.308 176.017 176.300 0.042 0.000 1.136 397 D CA 0.093 54.128 54.000 0.059 0.000 1.010 397 D CB 0.133 40.972 40.800 0.065 0.000 1.084 397 D HN 0.025 nan 8.370 nan 0.000 0.495 398 A N 0.081 122.892 122.820 -0.014 0.000 2.610 398 A HA 0.545 4.865 4.320 -0.000 0.000 0.291 398 A C -1.099 176.387 177.584 -0.164 0.000 1.086 398 A CA -0.759 51.196 52.037 -0.137 0.000 0.677 398 A CB 1.556 20.404 19.000 -0.252 0.000 1.278 398 A HN 0.378 nan 8.150 nan 0.000 0.414 399 C N 1.621 120.767 119.300 -0.255 0.000 2.329 399 C HA 0.785 5.245 4.460 -0.000 0.000 0.329 399 C C -0.732 174.113 174.990 -0.241 0.000 1.275 399 C CA -0.553 58.360 59.018 -0.175 0.000 1.726 399 C CB -1.039 26.596 27.740 -0.175 0.000 2.291 399 C HN 0.641 nan 8.230 nan 0.000 0.514 400 L N 6.379 127.524 121.223 -0.130 0.000 2.313 400 L HA 0.521 4.861 4.340 -0.000 0.000 0.283 400 L C -0.180 176.587 176.870 -0.172 0.000 1.013 400 L CA -0.167 54.555 54.840 -0.197 0.000 0.816 400 L CB 1.235 43.298 42.059 0.006 0.000 1.236 400 L HN 0.629 nan 8.230 nan 0.000 0.419 401 Q N 3.506 123.044 119.800 -0.436 0.000 2.322 401 Q HA 0.516 4.856 4.340 -0.000 0.000 0.265 401 Q C -1.498 174.147 176.000 -0.591 0.000 0.985 401 Q CA -0.419 55.196 55.803 -0.313 0.000 0.849 401 Q CB 2.384 31.003 28.738 -0.198 0.000 1.274 401 Q HN 0.433 nan 8.270 nan 0.000 0.449 402 F N 1.013 120.929 119.950 -0.057 0.000 2.434 402 F HA 0.351 4.878 4.527 -0.000 0.000 0.367 402 F C 0.928 176.699 175.800 -0.049 0.000 1.093 402 F CA -0.689 57.274 58.000 -0.061 0.000 1.085 402 F CB 1.239 40.203 39.000 -0.061 0.000 1.322 402 F HN 0.733 nan 8.300 nan 0.000 0.452 403 G N 1.565 110.392 108.800 0.045 0.000 2.624 403 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 403 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 403 G C 1.776 176.712 174.900 0.061 0.000 1.274 403 G CA 0.589 45.713 45.100 0.039 0.000 0.856 403 G HN 0.731 nan 8.290 nan 0.000 0.555 404 G N 0.756 109.583 108.800 0.044 0.000 2.469 404 G HA2 0.008 3.968 3.960 -0.000 0.000 0.220 404 G HA3 0.008 3.968 3.960 -0.000 0.000 0.220 404 G C 1.702 176.628 174.900 0.044 0.000 1.136 404 G CA 1.410 46.552 45.100 0.070 0.000 0.759 404 G HN 0.724 nan 8.290 nan 0.000 0.562 405 G N -0.824 107.945 108.800 -0.051 0.000 2.586 405 G HA2 0.118 4.078 3.960 -0.000 0.000 0.215 405 G HA3 0.118 4.078 3.960 -0.000 0.000 0.215 405 G C 1.424 176.379 174.900 0.092 0.000 1.128 405 G CA 1.662 46.652 45.100 -0.183 0.000 0.774 405 G HN 0.442 nan 8.290 nan 0.000 0.543 406 T N -0.054 114.605 114.554 0.174 0.000 3.221 406 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 406 T C 1.931 176.749 174.700 0.198 0.000 0.988 406 T CA -0.150 62.051 62.100 0.168 0.000 1.163 406 T CB -0.036 68.886 68.868 0.090 0.000 1.098 406 T HN 0.053 nan 8.240 nan 0.000 0.422 407 L N 1.655 122.971 121.223 0.155 0.000 2.552 407 L HA 0.291 4.631 4.340 -0.000 0.000 0.227 407 L C 2.269 179.255 176.870 0.194 0.000 1.146 407 L CA 0.813 55.733 54.840 0.134 0.000 0.858 407 L CB -0.274 41.827 42.059 0.070 0.000 0.969 407 L HN 0.375 nan 8.230 nan 0.000 0.451 408 G N -2.863 106.124 108.800 0.311 0.000 3.042 408 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.212 408 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.212 408 G C 0.545 175.655 174.900 0.350 0.000 1.166 408 G CA -0.287 45.054 45.100 0.402 0.000 0.767 408 G HN 0.290 nan 8.290 nan 0.000 0.546 409 H N 1.982 121.198 119.070 0.244 0.000 2.964 409 H HA 0.071 4.627 4.556 -0.000 0.000 0.328 409 H C -1.048 174.236 175.328 -0.074 0.000 1.030 409 H CA -1.076 54.964 56.048 -0.013 0.000 1.445 409 H CB 1.981 31.752 29.762 0.014 0.000 1.449 409 H HN 0.027 nan 8.280 nan 0.000 0.581 410 P HA -0.151 nan 4.420 nan 0.000 0.221 410 P C 0.733 178.217 177.300 0.307 0.000 1.145 410 P CA 1.143 64.178 63.100 -0.107 0.000 0.795 410 P CB 0.068 31.611 31.700 -0.260 0.000 0.775 411 W N 0.146 121.585 121.300 0.233 0.000 3.278 411 W HA 0.496 5.155 4.660 -0.000 0.000 0.308 411 W C 1.156 177.745 176.519 0.117 0.000 1.253 411 W CA 0.506 57.959 57.345 0.182 0.000 1.759 411 W CB -0.694 28.881 29.460 0.192 0.000 1.093 411 W HN 0.062 nan 8.180 nan 0.000 0.648 412 G N 0.752 109.753 108.800 0.333 0.000 2.483 412 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.521 412 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.521 412 G C 0.578 175.527 174.900 0.082 0.000 1.278 412 G CA -0.182 45.017 45.100 0.165 0.000 0.965 412 G HN -0.059 nan 8.290 nan 0.000 0.504 413 N N -0.031 118.685 118.700 0.027 0.000 2.135 413 N HA 0.051 4.790 4.740 -0.000 0.000 0.186 413 N C 2.702 178.163 175.510 -0.081 0.000 1.027 413 N CA 2.414 55.452 53.050 -0.020 0.000 0.849 413 N CB -0.672 37.794 38.487 -0.036 0.000 1.002 413 N HN 1.030 nan 8.380 nan 0.000 0.425 414 A N 1.562 124.326 122.820 -0.094 0.000 1.858 414 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 414 A C -0.207 177.297 177.584 -0.134 0.000 1.190 414 A CA 1.324 53.288 52.037 -0.121 0.000 0.617 414 A CB -1.546 17.382 19.000 -0.120 0.000 0.827 414 A HN 0.207 nan 8.150 nan 0.000 0.443 415 P HA -0.104 nan 4.420 nan 0.000 0.216 415 P C 1.694 178.607 177.300 -0.645 0.000 1.150 415 P CA 1.746 64.677 63.100 -0.281 0.000 0.837 415 P CB -0.325 31.308 31.700 -0.113 0.000 0.786 416 G N -0.006 108.430 108.800 -0.607 0.000 2.402 416 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 416 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 416 G C 1.655 176.441 174.900 -0.190 0.000 1.162 416 G CA 0.907 45.781 45.100 -0.377 0.000 0.777 416 G HN 0.308 nan 8.290 nan 0.000 0.539 417 A N 1.379 124.106 122.820 -0.154 0.000 1.865 417 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 417 A C 2.849 180.347 177.584 -0.143 0.000 1.191 417 A CA 2.510 54.472 52.037 -0.124 0.000 0.623 417 A CB -0.975 17.962 19.000 -0.104 0.000 0.826 417 A HN 0.856 nan 8.150 nan 0.000 0.444 418 A N -0.289 122.442 122.820 -0.148 0.000 1.940 418 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 418 A C 2.500 179.998 177.584 -0.143 0.000 1.176 418 A CA 2.273 54.240 52.037 -0.117 0.000 0.631 418 A CB -1.006 17.941 19.000 -0.088 0.000 0.814 418 A HN 1.096 nan 8.150 nan 0.000 0.446 419 A N 0.300 122.999 122.820 -0.202 0.000 1.877 419 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 419 A C 1.891 179.337 177.584 -0.230 0.000 1.186 419 A CA 1.783 53.694 52.037 -0.210 0.000 0.620 419 A CB -0.863 18.036 19.000 -0.169 0.000 0.822 419 A HN 0.699 nan 8.150 nan 0.000 0.443 420 N N -1.082 117.458 118.700 -0.266 0.000 2.166 420 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 420 N C 1.960 177.312 175.510 -0.264 0.000 1.019 420 N CA 1.414 54.224 53.050 -0.401 0.000 0.856 420 N CB -0.132 38.023 38.487 -0.554 0.000 0.993 420 N HN 0.443 nan 8.380 nan 0.000 0.426 421 R N 1.136 121.537 120.500 -0.165 0.000 2.066 421 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 421 R C 1.775 178.047 176.300 -0.047 0.000 1.131 421 R CA 0.987 57.034 56.100 -0.088 0.000 0.955 421 R CB -0.751 29.511 30.300 -0.063 0.000 0.851 421 R HN -0.008 nan 8.270 nan 0.000 0.432 422 V N 1.106 120.993 119.914 -0.045 0.000 2.287 422 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 422 V C 2.383 178.456 176.094 -0.035 0.000 1.053 422 V CA 2.118 64.426 62.300 0.013 0.000 1.027 422 V CB -1.072 30.703 31.823 -0.080 0.000 0.646 422 V HN 0.562 nan 8.190 nan 0.000 0.447 423 A N -0.338 122.401 122.820 -0.134 0.000 1.902 423 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 423 A C 2.173 179.719 177.584 -0.064 0.000 1.181 423 A CA 2.179 54.130 52.037 -0.142 0.000 0.623 423 A CB -0.617 18.248 19.000 -0.225 0.000 0.818 423 A HN 0.459 nan 8.150 nan 0.000 0.443 424 L N 0.173 121.360 121.223 -0.060 0.000 2.012 424 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 424 L C 2.235 179.121 176.870 0.027 0.000 1.073 424 L CA 2.513 57.351 54.840 -0.003 0.000 0.748 424 L CB -0.670 41.388 42.059 -0.001 0.000 0.891 424 L HN 0.525 nan 8.230 nan 0.000 0.431 425 E N -0.528 119.692 120.200 0.034 0.000 2.106 425 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 425 E C 2.146 178.793 176.600 0.078 0.000 0.984 425 E CA 0.975 57.408 56.400 0.057 0.000 0.806 425 E CB -0.280 29.459 29.700 0.065 0.000 0.750 425 E HN 0.655 nan 8.360 nan 0.000 0.458 426 A N 1.093 123.976 122.820 0.104 0.000 1.883 426 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 426 A C 2.474 180.105 177.584 0.078 0.000 1.186 426 A CA 1.350 53.460 52.037 0.122 0.000 0.624 426 A CB -0.915 18.167 19.000 0.136 0.000 0.822 426 A HN 0.350 nan 8.150 nan 0.000 0.444 427 C N -1.150 118.184 119.300 0.056 0.000 2.440 427 C HA -0.054 4.406 4.460 -0.000 0.000 0.278 427 C C 3.039 178.065 174.990 0.060 0.000 1.295 427 C CA 1.451 60.504 59.018 0.057 0.000 1.738 427 C CB -1.500 26.274 27.740 0.057 0.000 1.987 427 C HN 0.654 nan 8.230 nan 0.000 0.492 428 T N 0.177 114.766 114.554 0.058 0.000 2.708 428 T HA -0.250 4.100 4.350 -0.000 0.000 0.266 428 T C 1.883 176.613 174.700 0.050 0.000 1.037 428 T CA 1.615 63.748 62.100 0.055 0.000 1.146 428 T CB -0.403 68.497 68.868 0.053 0.000 0.865 428 T HN 0.654 nan 8.240 nan 0.000 0.435 429 Q N 0.599 120.429 119.800 0.050 0.000 2.096 429 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 429 Q C 2.470 178.496 176.000 0.043 0.000 0.982 429 Q CA 1.621 57.450 55.803 0.042 0.000 0.850 429 Q CB -0.280 28.484 28.738 0.043 0.000 0.901 429 Q HN 0.549 nan 8.270 nan 0.000 0.422 430 A N 1.199 124.050 122.820 0.051 0.000 1.898 430 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 430 A C 2.162 179.772 177.584 0.044 0.000 1.181 430 A CA 1.180 53.246 52.037 0.049 0.000 0.620 430 A CB -0.653 18.381 19.000 0.057 0.000 0.819 430 A HN 0.285 nan 8.150 nan 0.000 0.442 431 R N 0.537 121.065 120.500 0.047 0.000 2.094 431 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 431 R C 1.804 178.126 176.300 0.037 0.000 1.137 431 R CA 2.258 58.384 56.100 0.044 0.000 0.943 431 R CB -0.943 29.386 30.300 0.049 0.000 0.850 431 R HN 0.767 nan 8.270 nan 0.000 0.433 432 N N 0.158 118.880 118.700 0.036 0.000 2.205 432 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 432 N C 1.316 176.841 175.510 0.025 0.000 1.015 432 N CA 1.009 54.077 53.050 0.030 0.000 0.862 432 N CB -0.071 38.433 38.487 0.029 0.000 0.986 432 N HN 0.425 nan 8.380 nan 0.000 0.429 433 E N -0.413 119.803 120.200 0.027 0.000 2.482 433 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 433 E C 0.971 177.585 176.600 0.023 0.000 1.047 433 E CA 0.200 56.614 56.400 0.023 0.000 0.869 433 E CB 0.263 29.978 29.700 0.025 0.000 0.836 433 E HN 0.484 nan 8.360 nan 0.000 0.520 434 G N 1.592 110.408 108.800 0.026 0.000 2.179 434 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 434 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 434 G C 0.171 175.087 174.900 0.027 0.000 0.990 434 G CA -0.430 44.685 45.100 0.024 0.000 0.646 434 G HN 0.064 nan 8.290 nan 0.000 0.517 435 R N 0.718 121.237 120.500 0.031 0.000 2.643 435 R HA 0.290 4.630 4.340 -0.000 0.000 0.270 435 R C -0.612 175.709 176.300 0.036 0.000 1.061 435 R CA -0.274 55.847 56.100 0.035 0.000 1.107 435 R CB 0.575 30.899 30.300 0.041 0.000 0.999 435 R HN 0.222 nan 8.270 nan 0.000 0.460 436 D N 3.221 123.642 120.400 0.035 0.000 2.365 436 D HA 0.049 4.689 4.640 -0.000 0.000 0.237 436 D C 1.027 177.353 176.300 0.043 0.000 1.190 436 D CA -0.117 53.904 54.000 0.035 0.000 0.867 436 D CB 0.794 41.612 40.800 0.030 0.000 1.050 436 D HN 0.413 nan 8.370 nan 0.000 0.491 437 L N 3.259 124.510 121.223 0.047 0.000 2.141 437 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 437 L C 2.402 179.309 176.870 0.063 0.000 1.094 437 L CA 0.946 55.822 54.840 0.059 0.000 0.763 437 L CB -0.215 41.882 42.059 0.064 0.000 0.908 437 L HN 0.454 nan 8.230 nan 0.000 0.437 438 A N 0.095 122.945 122.820 0.051 0.000 1.933 438 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 438 A C 2.302 179.916 177.584 0.050 0.000 1.175 438 A CA 1.631 53.697 52.037 0.048 0.000 0.628 438 A CB -0.255 18.764 19.000 0.033 0.000 0.814 438 A HN 0.260 nan 8.150 nan 0.000 0.444 439 R N -0.631 119.896 120.500 0.045 0.000 2.146 439 R HA 0.175 4.515 4.340 -0.000 0.000 0.206 439 R C 1.492 177.822 176.300 0.052 0.000 1.049 439 R CA 1.254 57.380 56.100 0.042 0.000 1.029 439 R CB -0.150 30.169 30.300 0.033 0.000 0.949 439 R HN 0.644 nan 8.270 nan 0.000 0.471 440 E N -0.587 119.647 120.200 0.056 0.000 2.481 440 E HA 0.147 4.497 4.350 -0.000 0.000 0.198 440 E C 1.500 178.148 176.600 0.080 0.000 1.027 440 E CA 0.324 56.761 56.400 0.063 0.000 0.900 440 E CB 0.539 30.271 29.700 0.054 0.000 0.993 440 E HN 0.384 nan 8.360 nan 0.000 0.482 441 G N 1.541 110.395 108.800 0.091 0.000 2.476 441 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 441 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 441 G C 1.537 176.529 174.900 0.153 0.000 1.164 441 G CA 0.899 46.066 45.100 0.113 0.000 0.768 441 G HN 0.390 nan 8.290 nan 0.000 0.560 442 G N 0.698 109.613 108.800 0.191 0.000 2.440 442 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 442 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 442 G C 1.482 176.518 174.900 0.226 0.000 1.154 442 G CA 1.396 46.670 45.100 0.290 0.000 0.767 442 G HN 0.355 nan 8.290 nan 0.000 0.552 443 D N 0.185 120.667 120.400 0.137 0.000 2.117 443 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 443 D C 2.807 179.156 176.300 0.081 0.000 0.982 443 D CA 0.690 54.751 54.000 0.101 0.000 0.828 443 D CB -0.533 40.313 40.800 0.077 0.000 0.967 443 D HN 0.199 nan 8.370 nan 0.000 0.464 444 V N 1.672 121.632 119.914 0.076 0.000 2.287 444 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 444 V C 2.465 178.567 176.094 0.013 0.000 1.053 444 V CA 1.108 63.443 62.300 0.058 0.000 1.027 444 V CB -0.294 31.565 31.823 0.060 0.000 0.646 444 V HN 0.189 nan 8.190 nan 0.000 0.447 445 I N -0.117 120.444 120.570 -0.016 0.000 2.202 445 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 445 I C 2.649 178.652 176.117 -0.190 0.000 1.091 445 I CA 1.639 62.835 61.300 -0.174 0.000 1.368 445 I CB -1.217 36.586 38.000 -0.329 0.000 1.058 445 I HN 0.312 nan 8.210 nan 0.000 0.410 446 R N 0.260 120.740 120.500 -0.033 0.000 2.120 446 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 446 R C 2.491 178.772 176.300 -0.033 0.000 1.123 446 R CA 1.423 57.525 56.100 0.003 0.000 0.975 446 R CB -0.222 30.148 30.300 0.116 0.000 0.866 446 R HN 0.278 nan 8.270 nan 0.000 0.446 447 S N 0.666 116.364 115.700 -0.003 0.000 2.368 447 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 447 S C 2.067 176.653 174.600 -0.024 0.000 1.029 447 S CA 1.192 59.414 58.200 0.037 0.000 0.988 447 S CB -0.110 63.150 63.200 0.100 0.000 0.838 447 S HN 0.477 nan 8.310 nan 0.000 0.462 448 A N 0.513 123.252 122.820 -0.134 0.000 1.933 448 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 448 A C 2.354 179.371 177.584 -0.944 0.000 1.175 448 A CA 1.457 53.164 52.037 -0.551 0.000 0.628 448 A CB -1.299 17.483 19.000 -0.363 0.000 0.814 448 A HN 0.614 nan 8.150 nan 0.000 0.444 449 C N -0.680 118.313 119.300 -0.512 0.000 2.403 449 C HA -0.122 4.338 4.460 -0.000 0.000 0.279 449 C C 2.648 177.450 174.990 -0.314 0.000 1.269 449 C CA 1.467 60.245 59.018 -0.402 0.000 1.774 449 C CB -1.166 26.428 27.740 -0.244 0.000 1.993 449 C HN 0.626 nan 8.230 nan 0.000 0.496 450 K N 0.161 120.420 120.400 -0.235 0.000 2.147 450 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 450 K C 1.825 178.435 176.600 0.016 0.000 1.049 450 K CA 1.591 57.840 56.287 -0.062 0.000 0.936 450 K CB -0.120 32.407 32.500 0.044 0.000 0.722 450 K HN 0.866 nan 8.250 nan 0.000 0.446 451 W N -1.543 119.757 121.300 -0.001 0.000 3.103 451 W HA 0.355 5.014 4.660 -0.000 0.000 0.325 451 W C 0.003 176.526 176.519 0.006 0.000 1.170 451 W CA -0.401 56.946 57.345 0.004 0.000 1.712 451 W CB 0.025 29.485 29.460 -0.000 0.000 1.068 451 W HN -0.184 nan 8.180 nan 0.000 0.592 452 S N 2.745 118.177 115.700 -0.447 0.000 2.601 452 S HA 0.381 4.851 4.470 -0.000 0.000 0.312 452 S C -1.614 172.859 174.600 -0.211 0.000 1.107 452 S CA -1.306 56.672 58.200 -0.371 0.000 1.129 452 S CB 1.315 64.030 63.200 -0.808 0.000 0.982 452 S HN -0.304 nan 8.310 nan 0.000 0.469 453 P HA -0.048 nan 4.420 nan 0.000 0.217 453 P C 0.926 178.178 177.300 -0.079 0.000 1.150 453 P CA 0.931 64.080 63.100 0.083 0.000 0.832 453 P CB 0.251 32.142 31.700 0.319 0.000 0.787 454 E N -0.560 119.601 120.200 -0.064 0.000 2.051 454 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 454 E C 1.851 178.297 176.600 -0.255 0.000 0.991 454 E CA 0.853 57.114 56.400 -0.232 0.000 0.799 454 E CB -1.288 28.340 29.700 -0.120 0.000 0.748 454 E HN 0.106 nan 8.360 nan 0.000 0.449 455 L N 0.508 121.568 121.223 -0.271 0.000 2.046 455 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 455 L C 2.058 178.733 176.870 -0.325 0.000 1.077 455 L CA 2.079 56.733 54.840 -0.311 0.000 0.747 455 L CB -0.980 40.835 42.059 -0.406 0.000 0.896 455 L HN 0.119 nan 8.230 nan 0.000 0.432 456 A N -0.327 122.310 122.820 -0.305 0.000 1.892 456 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 456 A C 2.473 179.886 177.584 -0.285 0.000 1.188 456 A CA 2.217 54.106 52.037 -0.245 0.000 0.631 456 A CB -1.297 17.607 19.000 -0.160 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.325 122.230 122.820 -0.443 0.000 1.902 457 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 457 A C 2.519 179.693 177.584 -0.683 0.000 1.181 457 A CA 2.273 53.914 52.037 -0.661 0.000 0.623 457 A CB -1.027 17.171 19.000 -1.336 0.000 0.818 457 A HN 1.110 nan 8.150 nan 0.000 0.443 458 A N -1.023 121.466 122.820 -0.551 0.000 1.898 458 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 458 A C 2.310 179.764 177.584 -0.215 0.000 1.181 458 A CA 1.623 53.422 52.037 -0.395 0.000 0.620 458 A CB -1.290 17.723 19.000 0.022 0.000 0.819 458 A HN 0.603 nan 8.150 nan 0.000 0.442 459 C N -0.800 118.375 119.300 -0.207 0.000 2.413 459 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 459 C C 2.668 177.803 174.990 0.242 0.000 1.248 459 C CA 1.153 60.163 59.018 -0.012 0.000 1.742 459 C CB -1.107 26.499 27.740 -0.224 0.000 2.017 459 C HN 0.638 nan 8.230 nan 0.000 0.481 460 E N 0.517 120.696 120.200 -0.035 0.000 2.077 460 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 460 E C 2.215 178.710 176.600 -0.176 0.000 0.989 460 E CA 1.283 57.638 56.400 -0.076 0.000 0.800 460 E CB -0.080 29.534 29.700 -0.143 0.000 0.746 460 E HN 0.481 nan 8.360 nan 0.000 0.452 461 V N -0.076 119.599 119.914 -0.398 0.000 2.427 461 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 461 V C 1.477 177.243 176.094 -0.546 0.000 1.051 461 V CA 1.228 63.147 62.300 -0.634 0.000 1.048 461 V CB -0.279 30.857 31.823 -1.144 0.000 0.666 461 V HN 0.401 nan 8.190 nan 0.000 0.456 462 W N -0.519 120.702 121.300 -0.132 0.000 2.991 462 W HA 0.339 4.999 4.660 0.000 0.000 0.391 462 W C 1.810 178.199 176.519 -0.218 0.000 1.054 462 W CA -0.950 56.224 57.345 -0.286 0.000 1.856 462 W CB -0.320 28.754 29.460 -0.644 0.000 1.132 462 W HN 0.255 nan 8.180 nan 0.000 0.601 463 K N 1.301 121.750 120.400 0.081 0.000 2.052 463 K HA -0.229 4.091 4.320 -0.000 0.000 0.215 463 K C 1.294 177.723 176.600 -0.286 0.000 1.053 463 K CA 1.893 58.056 56.287 -0.208 0.000 0.934 463 K CB 0.233 32.646 32.500 -0.145 0.000 0.717 463 K HN -0.087 nan 8.250 nan 0.000 0.450 464 E N 0.296 120.404 120.200 -0.154 0.000 2.489 464 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 464 E C 0.054 176.594 176.600 -0.100 0.000 1.057 464 E CA 0.192 56.509 56.400 -0.138 0.000 0.866 464 E CB 0.270 29.906 29.700 -0.107 0.000 0.916 464 E HN 0.259 nan 8.360 nan 0.000 0.500 465 I N 2.189 122.727 120.570 -0.052 0.000 2.322 465 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 465 I C 0.375 176.516 176.117 0.040 0.000 1.060 465 I CA -0.037 61.245 61.300 -0.030 0.000 1.309 465 I CB 0.048 38.072 38.000 0.040 0.000 1.415 465 I HN -0.265 nan 8.210 nan 0.000 0.492 466 K N 5.670 125.963 120.400 -0.179 0.000 2.443 466 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 466 K C -1.415 174.949 176.600 -0.393 0.000 0.972 466 K CA -0.608 55.625 56.287 -0.090 0.000 0.833 466 K CB 2.544 35.028 32.500 -0.027 0.000 1.317 466 K HN 0.144 nan 8.250 nan 0.000 0.441 467 F N 1.550 121.604 119.950 0.172 0.000 2.532 467 F HA 0.294 4.821 4.527 -0.000 0.000 0.365 467 F C -0.494 175.393 175.800 0.145 0.000 1.112 467 F CA -0.550 57.576 58.000 0.210 0.000 1.082 467 F CB 1.501 40.646 39.000 0.242 0.000 1.319 467 F HN 0.296 nan 8.300 nan 0.000 0.457 468 E N 3.939 124.159 120.200 0.034 0.000 2.220 468 E HA 0.551 4.901 4.350 -0.000 0.000 0.256 468 E C -1.301 175.107 176.600 -0.320 0.000 0.881 468 E CA -0.476 55.894 56.400 -0.050 0.000 0.766 468 E CB 1.882 31.529 29.700 -0.089 0.000 1.187 468 E HN 0.329 nan 8.360 nan 0.000 0.419 469 F N 0.323 120.318 119.950 0.076 0.000 2.629 469 F HA 0.206 4.733 4.527 -0.000 0.000 0.316 469 F C 0.123 175.952 175.800 0.047 0.000 1.081 469 F CA -1.236 56.801 58.000 0.060 0.000 0.954 469 F CB 1.444 40.486 39.000 0.069 0.000 1.337 469 F HN 0.252 nan 8.300 nan 0.000 0.474 470 D N 0.961 121.503 120.400 0.236 0.000 2.487 470 D HA 0.105 4.745 4.640 -0.000 0.000 0.243 470 D C -0.435 175.947 176.300 0.138 0.000 1.154 470 D CA 0.514 54.601 54.000 0.145 0.000 0.876 470 D CB 0.742 41.610 40.800 0.113 0.000 1.161 470 D HN 0.405 nan 8.370 nan 0.000 0.478 471 T N 5.850 120.467 114.554 0.105 0.000 2.814 471 T HA 0.093 4.443 4.350 -0.000 0.000 0.297 471 T C 1.473 176.219 174.700 0.077 0.000 0.956 471 T CA -0.731 61.424 62.100 0.091 0.000 1.123 471 T CB 0.737 69.655 68.868 0.084 0.000 0.902 471 T HN 0.297 nan 8.240 nan 0.000 0.528 472 I N 1.762 122.372 120.570 0.067 0.000 2.296 472 I HA 0.010 4.180 4.170 -0.000 0.000 0.242 472 I C 1.449 177.611 176.117 0.075 0.000 1.087 472 I CA 0.930 62.266 61.300 0.060 0.000 1.393 472 I CB -0.684 37.340 38.000 0.039 0.000 1.093 472 I HN 0.569 nan 8.210 nan 0.000 0.421 473 D N 2.779 123.230 120.400 0.086 0.000 2.608 473 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 473 D C 0.072 176.459 176.300 0.145 0.000 1.123 473 D CA 0.118 54.192 54.000 0.124 0.000 1.030 473 D CB -0.241 40.633 40.800 0.124 0.000 1.093 473 D HN 0.089 nan 8.370 nan 0.000 0.497 474 K N 1.471 121.942 120.400 0.118 0.000 2.154 474 K HA 0.310 4.630 4.320 -0.000 0.000 0.264 474 K C 0.646 177.315 176.600 0.116 0.000 1.008 474 K CA -0.769 55.580 56.287 0.103 0.000 0.937 474 K CB 1.476 34.020 32.500 0.074 0.000 1.002 474 K HN 0.262 nan 8.250 nan 0.000 0.469 475 L N 0.000 121.280 121.223 0.095 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.890 54.840 0.084 0.000 0.813 475 L CB 0.000 42.083 42.059 0.041 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502